200,000+ products from a single source!
sales@angenechem.com
88912-74-7 | Pyridine, 2-chloro-5-nitro-4-[(phenylsulfonyl)methyl]-
CAS No: 88912-74-7 Catalog No: AG00496F MDL No:
Product Description
Catalog Number:
AG00496F
Chemical Name:
Pyridine, 2-chloro-5-nitro-4-[(phenylsulfonyl)methyl]-
CAS Number:
88912-74-7
Molecular Formula:
C12H9ClN2O4S
Molecular Weight:
312.7289
IUPAC Name:
4-(benzenesulfonylmethyl)-2-chloro-5-nitropyridine
InChI:
InChI=1S/C12H9ClN2O4S/c13-12-6-9(11(7-14-12)15(16)17)8-20(18,19)10-4-2-1-3-5-10/h1-7H,8H2
InChI Key:
BGIBDJQZUNXZQO-UHFFFAOYSA-N
SMILES:
Clc1ncc(c(c1)CS(=O)(=O)c1ccccc1)[N+](=O)[O-]
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.997g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.724g/mol
Monoisotopic Mass:
311.997g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.