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Home Halogens 2-(chloromethyl)-6-fluoro-1H-1,3-benzodiazole-4-carboxylic acid hydrochloride

2-(chloromethyl)-6-fluoro-1H-1,3-benzodiazole-4-carboxylic acid hydrochloride

CAS No.:
1193389-44-4
Catalog Number:
AG019W1T
Molecular Formula:
C9H7Cl2FN2O2
Molecular Weight:
265.0685
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Product Description
Catalog Number:
AG019W1T
Chemical Name:
2-(chloromethyl)-6-fluoro-1H-1,3-benzodiazole-4-carboxylic acid hydrochloride
CAS Number:
1193389-44-4
Molecular Formula:
C9H7Cl2FN2O2
Molecular Weight:
265.0685
MDL Number:
MFCD12912813
IUPAC Name:
2-(chloromethyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid;hydrochloride
InChI:
InChI=1S/C9H6ClFN2O2.ClH/c10-3-7-12-6-2-4(11)1-5(9(14)15)8(6)13-7;/h1-2H,3H2,(H,12,13)(H,14,15);1H
InChI Key:
IIYJECSLPJZOCJ-UHFFFAOYSA-N
SMILES:
ClCc1nc2c([nH]1)cc(cc2C(=O)O)F.Cl
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.987g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
265.065g/mol
Monoisotopic Mass:
263.987g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties