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1171584-84-1 | 2-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]benzoic acid hydrobromide
CAS No: 1171584-84-1 Catalog No: AG019J8K MDL No:MFCD08447144
Product Description
Catalog Number:
AG019J8K
Chemical Name:
2-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]benzoic acid hydrobromide
CAS Number:
1171584-84-1
Molecular Formula:
C15H13BrN2O2S
Molecular Weight:
365.2449
MDL Number:
MFCD08447144
IUPAC Name:
2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoic acid;hydrobromide
InChI:
InChI=1S/C15H12N2O2S.BrH/c18-14(19)11-6-2-1-5-10(11)9-20-15-16-12-7-3-4-8-13(12)17-15;/h1-8H,9H2,(H,16,17)(H,18,19);1H
InChI Key:
BBRZECPPRDQKEJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1CSc1nc2c([nH]1)cccc2.Br
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.988g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
365.245g/mol
Monoisotopic Mass:
363.988g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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