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Home > Nitro Compounds > 1423025-92-6
1423025-92-6 | 4-hydroxy-2-methyl-5-nitrobenzene-1-sulfonyl chloride
CAS No: 1423025-92-6 Catalog No: AG01A1VX MDL No:MFCD22565965
Product Description
Catalog Number:
AG01A1VX
Chemical Name:
4-hydroxy-2-methyl-5-nitrobenzene-1-sulfonyl chloride
CAS Number:
1423025-92-6
Molecular Formula:
C7H6ClNO5S
Molecular Weight:
251.6442
MDL Number:
MFCD22565965
IUPAC Name:
4-hydroxy-2-methyl-5-nitrobenzenesulfonyl chloride
InChI:
InChI=1S/C7H6ClNO5S/c1-4-2-6(10)5(9(11)12)3-7(4)15(8,13)14/h2-3,10H,1H3
InChI Key:
XIDSCCOEXACQPJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(c(cc1O)C)S(=O)(=O)Cl
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.966g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.637g/mol
Monoisotopic Mass:
250.966g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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