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Home > Nitro Compounds > 3163-07-3
3163-07-3 | 4-Nitrobenzene-1,3-diol
CAS No: 3163-07-3 Catalog No: AG0039ZR MDL No:MFCD04117945
Product Description
Catalog Number:
AG0039ZR
Chemical Name:
4-Nitrobenzene-1,3-diol
CAS Number:
3163-07-3
Molecular Formula:
C6H5NO4
Molecular Weight:
155.1082
MDL Number:
MFCD04117945
IUPAC Name:
4-nitrobenzene-1,3-diol
InChI:
InChI=1S/C6H5NO4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H
InChI Key:
CYEZXDVLBGFROE-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)O)[N+](=O)[O-]
EC Number:
221-616-8
UNII:
H7ZWK9J803
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.022g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
155.109g/mol
Monoisotopic Mass:
155.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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