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1263060-63-4 | 1H-BenziMidazole-2-carboxylic acid, 7-broMo-
CAS No: 1263060-63-4 Catalog No: AG000SJ0 MDL No:
Product Description
Catalog Number:
AG000SJ0
Chemical Name:
1H-BenziMidazole-2-carboxylic acid, 7-broMo-
CAS Number:
1263060-63-4
Molecular Formula:
C8H5BrN2O2
Molecular Weight:
241.0415
IUPAC Name:
4-bromo-1H-benzimidazole-2-carboxylic acid
InChI:
InChI=1S/C8H5BrN2O2/c9-4-2-1-3-5-6(4)11-7(10-5)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key:
UPZCSZCAKGDJMU-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc2c([nH]1)c(Br)ccc2
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.953g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.044g/mol
Monoisotopic Mass:
239.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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