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88693-80-5 | Benzenesulfenamide, 4-bromo-N-(4-chlorophenyl)-
CAS No: 88693-80-5 Catalog No: AG0046M9 MDL No:
Product Description
Catalog Number:
AG0046M9
Chemical Name:
Benzenesulfenamide, 4-bromo-N-(4-chlorophenyl)-
CAS Number:
88693-80-5
Molecular Formula:
C12H9BrClNS
Molecular Weight:
314.6286
IUPAC Name:
N-(4-bromophenyl)sulfanyl-4-chloroaniline
InChI:
InChI=1S/C12H9BrClNS/c13-9-1-7-12(8-2-9)16-15-11-5-3-10(14)4-6-11/h1-8,15H
InChI Key:
OYMIWMODPISAQJ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)NSc1ccc(cc1)Br
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.933g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.625g/mol
Monoisotopic Mass:
312.933g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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