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Home > Nitro Compounds > 753009-59-5
753009-59-5 | 2-benzyl-4-nitrophenol
CAS No: 753009-59-5 Catalog No: AG019OU1 MDL No:MFCD07685916
Product Description
Catalog Number:
AG019OU1
Chemical Name:
2-benzyl-4-nitrophenol
CAS Number:
753009-59-5
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
MDL Number:
MFCD07685916
IUPAC Name:
2-benzyl-4-nitrophenol
InChI:
InChI=1S/C13H11NO3/c15-13-7-6-12(14(16)17)9-11(13)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2
InChI Key:
LPZJACDNYUKILW-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1Cc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
258
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:
3.3
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