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Home > Nitro Compounds > 1248014-50-7
1248014-50-7 | 4-carbamoyl-2-nitrobenzene-1-sulfonyl chloride
CAS No: 1248014-50-7 Catalog No: AG01C52O MDL No:MFCD16093681
Product Description
Catalog Number:
AG01C52O
Chemical Name:
4-carbamoyl-2-nitrobenzene-1-sulfonyl chloride
CAS Number:
1248014-50-7
Molecular Formula:
C7H5ClN2O5S
Molecular Weight:
264.6430
MDL Number:
MFCD16093681
IUPAC Name:
4-carbamoyl-2-nitrobenzenesulfonyl chloride
InChI:
InChI=1S/C7H5ClN2O5S/c8-16(14,15)6-2-1-4(7(9)11)3-5(6)10(12)13/h1-3H,(H2,9,11)
InChI Key:
YNXHSOAQUDGYSB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1S(=O)(=O)Cl)C(=O)N
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.961g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.636g/mol
Monoisotopic Mass:
263.961g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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