Basic information
- CAS
7356-52-7- Standard SMILES
CC(=O)Nc1c(C)ccc(C(=O)O)c1[N+](=O)[O-]- InChIKey
TXVWKWQKCFPEDJ-UHFFFAOYSA-N- Molecular formula
- C10H10N2O5
- Average molar mass
- 238.2 g/mol
- Monoisotopic mass
- 238.05897142
Names & identifiers
- Preferred name
- 3-Acetamido-4-methyl-2-nitrobenzoic acid
- IUPAC
- 3-acetamido-4-methyl-2-nitrobenzoic acid
- English name
- 2-Nitro-3-acetylamino-4-methylbenzoic acid
- Molecular formula
- C10H10N2O5
- Molecular weight
- 238.2
Names & synonyms
3-acetamido-4-methyl-2-nitrobenzoic acid7356-52-7MFCD007550983-acetamido-4-methyl-2-nitro-benzoic acid3-(acetylamino)-4-methyl-2-nitrobenzoic acidBenzoic acid, 3-(acetylamino)-4-methyl-2-nitro-NSC53197Oprea1_187115SCHEMBL559811DTXSID80287897TXVWKWQKCFPEDJ-UHFFFAOYSA-NNSC-53197
Show more names
2-Nitro-3-acetylamino-4-methylbenzoic acid3-Acetylamino-4-methyl-2-nitro-benzoic acid
AKOS015919857GS-40463-acetamido-4-methyl-2-nitrobenzoicacidSY107808DB-055778ST50979862F077051SR-01000208110
Database identifiers
- CAS
7356-52-7- PubChem CID
- 243433
- DTXSID
DTXSID80287897
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H317
- Precautionary statements
- P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers30 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
凯曦（武汉）生物科技有限公司18086025538
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
Aladdin Scientific[email protected]
武汉萘星光电科技有限公司13407122362
北京索莱宝科技有限公司010-50973130 17801761073 · [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]
上海相辉医药科技有限公司13761987713 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
天津詹士顿医药科技有限公司022-60131465 18920720807 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
Related reactions
14 records
Compound notes
Loading…