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Home > Nitro Compounds > 97-10-9
97-10-9 | Phenol, 4-(methylsulfonyl)-2-nitro-
CAS No: 97-10-9 Catalog No: AG00IJW1 MDL No:MFCD00085946
Product Description
Catalog Number:
AG00IJW1
Chemical Name:
Phenol, 4-(methylsulfonyl)-2-nitro-
CAS Number:
97-10-9
Molecular Formula:
C7H7NO5S
Molecular Weight:
217.1992
MDL Number:
MFCD00085946
IUPAC Name:
4-methylsulfonyl-2-nitrophenol
InChI:
InChI=1S/C7H7NO5S/c1-14(12,13)5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3
InChI Key:
WPYHDEFQVGUCQZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1O)S(=O)(=O)C
EC Number:
202-560-3
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.004g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.195g/mol
Monoisotopic Mass:
217.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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