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Home > Nitro Compounds > 1250191-81-1
1250191-81-1 | (4-METHYL-3-NITROPHENYL)METHANESULFONYL CHLORIDE
CAS No: 1250191-81-1 Catalog No: AG01B2YR MDL No:MFCD16671686
Product Description
Catalog Number:
AG01B2YR
Chemical Name:
(4-METHYL-3-NITROPHENYL)METHANESULFONYL CHLORIDE
CAS Number:
1250191-81-1
Molecular Formula:
C8H8ClNO4S
Molecular Weight:
249.6714
MDL Number:
MFCD16671686
IUPAC Name:
(4-methyl-3-nitrophenyl)methanesulfonyl chloride
InChI:
InChI=1S/C8H8ClNO4S/c1-6-2-3-7(5-15(9,13)14)4-8(6)10(11)12/h2-4H,5H2,1H3
InChI Key:
RBBYAZDDVVVBKZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1C)CS(=O)(=O)Cl
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.986g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.665g/mol
Monoisotopic Mass:
248.986g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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