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113739-13-2 | Carbamic acid, [4-[(phenylamino)sulfonyl]phenyl]-, methyl ester (9CI)
CAS No: 113739-13-2 Catalog No: AG0009IL MDL No:
Product Description
Catalog Number:
AG0009IL
Chemical Name:
Carbamic acid, [4-[(phenylamino)sulfonyl]phenyl]-, methyl ester (9CI)
CAS Number:
113739-13-2
Molecular Formula:
C14H14N2O4S
Molecular Weight:
306.3370
IUPAC Name:
methyl N-[4-(phenylsulfamoyl)phenyl]carbamate
InChI:
InChI=1S/C14H14N2O4S/c1-20-14(17)15-11-7-9-13(10-8-11)21(18,19)16-12-5-3-2-4-6-12/h2-10,16H,1H3,(H,15,17)
InChI Key:
ULEYDOAVVSSLFC-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.067g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
306.336g/mol
Monoisotopic Mass:
306.067g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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