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116943-53-4 | Carbamic acid, [([1,1'-biphenyl]-4-ylamino)sulfonyl]-, 2-chloroethyl ester (9CI)
CAS No: 116943-53-4 Catalog No: AG000DE8 MDL No:
Product Description
Catalog Number:
AG000DE8
Chemical Name:
Carbamic acid, [([1,1'-biphenyl]-4-ylamino)sulfonyl]-, 2-chloroethyl ester (9CI)
CAS Number:
116943-53-4
Molecular Formula:
C15H15ClN2O4S
Molecular Weight:
354.8086
IUPAC Name:
2-chloroethyl N-[(4-phenylphenyl)sulfamoyl]carbamate
InChI:
InChI=1S/C15H15ClN2O4S/c16-10-11-22-15(19)18-23(20,21)17-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,17H,10-11H2,(H,18,19)
InChI Key:
ZIFOUCRFRDBJLO-UHFFFAOYSA-N
SMILES:
ClCCOC(=O)NS(=O)(=O)Nc1ccc(cc1)c1ccccc1
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.044g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
354.805g/mol
Monoisotopic Mass:
354.044g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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