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Home > Nitro Compounds > 261961-69-7
261961-69-7 | 1,2-Benzenediol, 4-[2-(4-nitrophenyl)ethenyl]-
CAS No: 261961-69-7 Catalog No: AG002S7U MDL No:
Product Description
Catalog Number:
AG002S7U
Chemical Name:
1,2-Benzenediol, 4-[2-(4-nitrophenyl)ethenyl]-
CAS Number:
261961-69-7
Molecular Formula:
C14H11NO4
Molecular Weight:
257.2414
IUPAC Name:
4-[2-(4-nitrophenyl)ethenyl]benzene-1,2-diol
InChI:
InChI=1S/C14H11NO4/c16-13-8-5-11(9-14(13)17)2-1-10-3-6-12(7-4-10)15(18)19/h1-9,16-17H
InChI Key:
FGGZCJNZCOJBGW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C=Cc1ccc(c(c1)O)O
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.245g/mol
Monoisotopic Mass:
257.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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