Basic information
- CAS
54778-20-0- Standard SMILES
O=C(O)c1c(Cl)[nH]c2ccccc12- InChIKey
SXIIAHIAZAMFPW-UHFFFAOYSA-N- Molecular formula
- C9H6ClNO2
- Average molar mass
- 195.6 g/mol
- Monoisotopic mass
- 195.00870611
Names & identifiers
- Preferred name
- 1H-Indole-3-carboxylic acid, 2-chloro-
- IUPAC
- 2-chloro-1H-indole-3-carboxylic acid
- English name
- 2-Chloro-1H-indole-3-carboxylic acid
- Molecular formula
- C9H6ClNO2
- Molecular weight
- 195.6
Names & synonyms
54778-20-01H-Indole-3-carboxylic acid, 2-chloro-DTXSID50203246RefChem:1058203DTXCID501257372-Chloro-1H-indole-3-carboxylic acid2-chloroindole-3-carboxylic acidMFCD01719046BRN 03917032-CHLORO-1H-INDOLE-3-CARBOXYLICACIDNSC234525SCHEMBL7327889
Show more names
RARECHEM AL BE 10142-Chloro-indole-3-carboxylic acid2-chloro-1h-indole-3-carboxylicaci3-anilino-1-pyrrolidinecarboxamideIndole-3-carboxylic acid, 2-chloro-
CHEMBL32777905-22-03-00039 (Beilstein Handbook Reference)MolPort-000-002-655, NSC234525, 2-Chloro-1H-indole-3-carboxylic acid, CID99521, BRN 0391703, 1H-Indole-3-carboxylic acid, 2-chloro-, LS-82556, 5-22-03-00039 (Beilstein Handbook Reference), 54778-20-0SXIIAHIAZAMFPW-UHFFFAOYSA-NSBB053268AKOS006277102AB09838NSC 234525
Database identifiers
- CAS
54778-20-0- PubChem CID
- 99521
- DTXSID
DTXSID50203246- ChEMBL
CHEMBL3277790
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Appearance
- Light brown to brown Solid
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H317
- Precautionary statements
- P280
Chemistry & industry
Applications
Uses2-Chloro-1H-indole-3-carboxylic Acid is used in preparation of Heterocyclic compounds as Nampt inhibitors.
Suppliers34 total
宁波振岳医药科技有限公司19817745290 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
斯芬克司药物研发（天津）股份有限公司022-66211289-843 13672102692 · [email protected]
Related reactions
4 records
Compound notes
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