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54029-20-8 | Methyl (5-(phenylsulfonyl)-1H-benzo[d]imidazol-2-yl)carbamate
CAS No: 54029-20-8 Catalog No: AG019FVQ MDL No:
Product Description
Catalog Number:
AG019FVQ
Chemical Name:
Methyl (5-(phenylsulfonyl)-1H-benzo[d]imidazol-2-yl)carbamate
CAS Number:
54029-20-8
Molecular Formula:
C15H13N3O4S
Molecular Weight:
331.3464
IUPAC Name:
methyl N-[6-(benzenesulfonyl)-1H-benzimidazol-2-yl]carbamate
InChI:
InChI=1S/C15H13N3O4S/c1-22-15(19)18-14-16-12-8-7-11(9-13(12)17-14)23(20,21)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)
InChI Key:
UAFDGCOOJPIAHN-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1[nH]c2c(n1)cc(cc2)S(=O)(=O)c1ccccc1
UNII:
FQM8UA6SPQ
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.063g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
331.346g/mol
Monoisotopic Mass:
331.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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