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14223-30-4 | 2-Propenenitrile, 3-[(4-bromophenyl)sulfonyl]-
CAS No: 14223-30-4 Catalog No: AG001I1A MDL No:
Product Description
Catalog Number:
AG001I1A
Chemical Name:
2-Propenenitrile, 3-[(4-bromophenyl)sulfonyl]-
CAS Number:
14223-30-4
Molecular Formula:
C9H6BrNO2S
Molecular Weight:
272.1184
IUPAC Name:
3-(4-bromophenyl)sulfonylprop-2-enenitrile
InChI:
InChI=1S/C9H6BrNO2S/c10-8-2-4-9(5-3-8)14(12,13)7-1-6-11/h1-5,7H
InChI Key:
LEHRKRKBRQULKQ-UHFFFAOYSA-N
SMILES:
N#CC=CS(=O)(=O)c1ccc(cc1)Br
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.93g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.116g/mol
Monoisotopic Mass:
270.93g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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