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Home > Nitro Compounds > 21969-07-3
21969-07-3 | Phenol,4-[(4-nitrophenyl)methyl]-
CAS No: 21969-07-3 Catalog No: AG007OQ9 MDL No:
Product Description
Catalog Number:
AG007OQ9
Chemical Name:
Phenol,4-[(4-nitrophenyl)methyl]-
CAS Number:
21969-07-3
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
IUPAC Name:
4-[(4-nitrophenyl)methyl]phenol
InChI:
InChI=1S/C13H11NO3/c15-13-7-3-11(4-8-13)9-10-1-5-12(6-2-10)14(16)17/h1-8,15H,9H2
InChI Key:
LFZQCJLFQTXGKW-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)Cc1ccc(cc1)[N+](=O)[O-]
NSC Number:
87358
Properties
Complexity:
248
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:
3.1
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