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Home > Bromides > 1036712-62-5
1036712-62-5 | Benzenesulfonamide, N-[(3-bromo-4-fluorophenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methyl-
CAS No: 1036712-62-5 Catalog No: AG01F39C MDL No:
Product Description
Catalog Number:
AG01F39C
Chemical Name:
Benzenesulfonamide, N-[(3-bromo-4-fluorophenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methyl-
CAS Number:
1036712-62-5
Molecular Formula:
C18H21BrFNO4S
Molecular Weight:
446.3310
IUPAC Name:
N-[(3-bromo-4-fluorophenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide
InChI:
InChI=1S/C18H21BrFNO4S/c1-13-4-7-15(8-5-13)26(22,23)21(12-18(24-2)25-3)11-14-6-9-17(20)16(19)10-14/h4-10,18H,11-12H2,1-3H3
InChI Key:
YMWAWNGTJDKAQE-UHFFFAOYSA-N
SMILES:
COC(CN(S(=O)(=O)c1ccc(cc1)C)Cc1ccc(c(c1)Br)F)OC
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
445.036g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
446.331g/mol
Monoisotopic Mass:
445.036g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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