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89518-05-8 | Carbamic acid, [(1-phenyl-1H-imidazol-2-yl)sulfonyl]-, phenyl ester
CAS No: 89518-05-8 Catalog No: AG0040VM MDL No:
Product Description
Catalog Number:
AG0040VM
Chemical Name:
Carbamic acid, [(1-phenyl-1H-imidazol-2-yl)sulfonyl]-, phenyl ester
CAS Number:
89518-05-8
Molecular Formula:
C16H13N3O4S
Molecular Weight:
343.3571
IUPAC Name:
phenyl N-(1-phenylimidazol-2-yl)sulfonylcarbamate
InChI:
InChI=1S/C16H13N3O4S/c20-16(23-14-9-5-2-6-10-14)18-24(21,22)15-17-11-12-19(15)13-7-3-1-4-8-13/h1-12H,(H,18,20)
InChI Key:
UBBJNFALEDHHIL-UHFFFAOYSA-N
SMILES:
O=C(NS(=O)(=O)c1nccn1c1ccccc1)Oc1ccccc1
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.063g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.357g/mol
Monoisotopic Mass:
343.063g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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