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Home > Nitro Compounds > 16761-19-6
16761-19-6 | 4-acetamido-3-nitrobenzene-1-sulfonyl chloride
CAS No: 16761-19-6 Catalog No: AG019N86 MDL No:MFCD11644018
Product Description
Catalog Number:
AG019N86
Chemical Name:
4-acetamido-3-nitrobenzene-1-sulfonyl chloride
CAS Number:
16761-19-6
Molecular Formula:
C8H7ClN2O5S
Molecular Weight:
278.6696
MDL Number:
MFCD11644018
IUPAC Name:
4-acetamido-3-nitrobenzenesulfonyl chloride
InChI:
InChI=1S/C8H7ClN2O5S/c1-5(12)10-7-3-2-6(17(9,15)16)4-8(7)11(13)14/h2-4H,1H3,(H,10,12)
InChI Key:
TZPGXCIXSNEQRH-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1[N+](=O)[O-])S(=O)(=O)Cl
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.976g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.663g/mol
Monoisotopic Mass:
277.976g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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