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Home > Nitro Compounds > 20273-74-9
20273-74-9 | Benzeneethanol, 4-nitro-α-phenyl-
CAS No: 20273-74-9 Catalog No: AG0028DD MDL No:
Product Description
Catalog Number:
AG0028DD
Chemical Name:
Benzeneethanol, 4-nitro-α-phenyl-
CAS Number:
20273-74-9
Molecular Formula:
C14H13NO3
Molecular Weight:
243.2579
IUPAC Name:
2-(4-nitrophenyl)-1-phenylethanol
InChI:
InChI=1S/C14H13NO3/c16-14(12-4-2-1-3-5-12)10-11-6-8-13(9-7-11)15(17)18/h1-9,14,16H,10H2
InChI Key:
MEWODLZYZUQZST-UHFFFAOYSA-N
SMILES:
OC(c1ccccc1)Cc1ccc(cc1)[N+](=O)[O-]
NSC Number:
141576
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.262g/mol
Monoisotopic Mass:
243.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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