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89028-83-1 | Benzenamine, 5-[(5-chloro-1H-benzimidazol-2-yl)thio]-2-nitro-
CAS No: 89028-83-1 Catalog No: AG00435B MDL No:
Product Description
Catalog Number:
AG00435B
Chemical Name:
Benzenamine, 5-[(5-chloro-1H-benzimidazol-2-yl)thio]-2-nitro-
CAS Number:
89028-83-1
Molecular Formula:
C13H9ClN4O2S
Molecular Weight:
320.7542
IUPAC Name:
5-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-2-nitroaniline
InChI:
InChI=1S/C13H9ClN4O2S/c14-7-1-3-10-11(5-7)17-13(16-10)21-8-2-4-12(18(19)20)9(15)6-8/h1-6H,15H2,(H,16,17)
InChI Key:
JPJPTMPKQXTGJB-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nc([nH]2)Sc1ccc(c(c1)N)[N+](=O)[O-]
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.013g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
320.751g/mol
Monoisotopic Mass:
320.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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