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Home > Imidazoles > 89517-89-5
89517-89-5 | Carbamic acid, (1H-imidazol-4-ylsulfonyl)-, phenyl ester
CAS No: 89517-89-5 Catalog No: AG0087B5 MDL No:
Product Description
Catalog Number:
AG0087B5
Chemical Name:
Carbamic acid, (1H-imidazol-4-ylsulfonyl)-, phenyl ester
CAS Number:
89517-89-5
Molecular Formula:
C10H9N3O4S
Molecular Weight:
267.2612
IUPAC Name:
phenyl N-(1H-imidazol-5-ylsulfonyl)carbamate
InChI:
InChI=1S/C10H9N3O4S/c14-10(17-8-4-2-1-3-5-8)13-18(15,16)9-6-11-7-12-9/h1-7H,(H,11,12)(H,13,14)
InChI Key:
RKJXFDIOTPDLNP-UHFFFAOYSA-N
SMILES:
O=C(NS(=O)(=O)c1c[nH]cn1)Oc1ccccc1
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.031g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.259g/mol
Monoisotopic Mass:
267.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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