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Home > Nitro Compounds > 500294-19-9
500294-19-9 | {4'-nitro-[1,1'-biphenyl]-2-yl}methanol
CAS No: 500294-19-9 Catalog No: AG00IS22 MDL No:MFCD10758069
Product Description
Catalog Number:
AG00IS22
Chemical Name:
{4'-nitro-[1,1'-biphenyl]-2-yl}methanol
CAS Number:
500294-19-9
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
MDL Number:
MFCD10758069
IUPAC Name:
[2-(4-nitrophenyl)phenyl]methanol
InChI:
InChI=1S/C13H11NO3/c15-9-11-3-1-2-4-13(11)10-5-7-12(8-6-10)14(16)17/h1-8,15H,9H2
InChI Key:
ACWFQKHPKYZHDM-UHFFFAOYSA-N
SMILES:
OCc1ccccc1c1ccc(cc1)[N+](=O)[O-]
NSC Number:
86870
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.235g/mol
Monoisotopic Mass:
229.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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