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175135-42-9 | Ethanone, 1-[1-(phenylsulfonyl)-1H-pyrrol-3-yl]-, oxime
CAS No: 175135-42-9 Catalog No: AG00206M MDL No:
Product Description
Catalog Number:
AG00206M
Chemical Name:
Ethanone, 1-[1-(phenylsulfonyl)-1H-pyrrol-3-yl]-, oxime
CAS Number:
175135-42-9
Molecular Formula:
C12H12N2O3S
Molecular Weight:
264.3003
IUPAC Name:
N-[1-[1-(benzenesulfonyl)pyrrol-3-yl]ethylidene]hydroxylamine
InChI:
InChI=1S/C12H12N2O3S/c1-10(13-15)11-7-8-14(9-11)18(16,17)12-5-3-2-4-6-12/h2-9,15H,1H3
InChI Key:
FWFDXRHPTWTMFF-UHFFFAOYSA-N
SMILES:
ON=C(c1ccn(c1)S(=O)(=O)c1ccccc1)C
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.057g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.299g/mol
Monoisotopic Mass:
264.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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