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1628821-20-4 | Benzenamine, 2-bromo-N-(4-chlorophenyl)-4-[(methylsulfonyl)methyl]-
CAS No: 1628821-20-4 Catalog No: AG001TI9 MDL No:
Product Description
Catalog Number:
AG001TI9
Chemical Name:
Benzenamine, 2-bromo-N-(4-chlorophenyl)-4-[(methylsulfonyl)methyl]-
CAS Number:
1628821-20-4
Molecular Formula:
C14H13BrClNO2S
Molecular Weight:
374.6805
IUPAC Name:
2-bromo-N-(4-chlorophenyl)-4-(methylsulfonylmethyl)aniline
InChI:
InChI=1S/C14H13BrClNO2S/c1-20(18,19)9-10-2-7-14(13(15)8-10)17-12-5-3-11(16)4-6-12/h2-8,17H,9H2,1H3
InChI Key:
BOHCVBVIWHYSNA-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Nc1ccc(cc1Br)CS(=O)(=O)C
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.954g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
374.677g/mol
Monoisotopic Mass:
372.954g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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