Basic information
- CAS
50424-93-6- Standard SMILES
Cc1cccc(C(=O)Cl)c1[N+](=O)[O-]- InChIKey
YVHZCFAUJFDIJY-UHFFFAOYSA-N- Molecular formula
- C8H6ClNO3
- Average molar mass
- 199.59 g/mol
- Monoisotopic mass
- 199.0036207
Names & identifiers
- Preferred name
- 3-Methyl-2-nitrobenzoyl chloride
- IUPAC
- 3-methyl-2-nitrobenzoyl chloride
- English name
- 3-methyl-2-nitrobenzoyl chloride
- Molecular formula
- C8H6ClNO3
- Molecular weight
- 199.59
Names & synonyms
3-methyl-2-nitrobenzoyl chloride50424-93-6NSC106281Niraparib Impurity 9SCHEMBL25550823-methyl-2-nitro-benzoylchlorideDTXSID10295920YVHZCFAUJFDIJY-UHFFFAOYSA-N2-methyl-6-chlorocarbonyl-nitrobenzeneNSC-106281DB-071191Nirapali Impurity 16
Show more names
Niraparib Impurity 4Benzoyl chloride, 3-methyl-2-nitro-
Database identifiers
- CAS
50424-93-6- PubChem CID
- 267161
- DTXSID
DTXSID10295920- Nikkaji
- J1.450.194K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Boiling point
- 160 °C · 160°C (rough estimate)
- Density
- 1.4125 · 1.4125 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers14 total
北京泰和景明医药科技有限公司15011440205 · [email protected]
成都精致化诚生物科技有限公司028-37664989 15900794981 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
上海康满林生物医药有限公司68080707 15021879576 · [email protected]
南京大秦医药科技有限公司025-025-58470199 18351831988 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
深圳市恒丰万达医药科技有限公司13986652530 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
广州市震霖医药科技有限公司020-18102736 13622807357 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
8 records
Compound notes
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