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Home > Nitro Compounds > 15121-84-3
15121-84-3 | Benzeneethanol, 2-nitro-
CAS No: 15121-84-3 Catalog No: AG001N5Z MDL No:MFCD00007192
Product Description
Catalog Number:
AG001N5Z
Chemical Name:
Benzeneethanol, 2-nitro-
CAS Number:
15121-84-3
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD00007192
IUPAC Name:
2-(2-nitrophenyl)ethanol
InChI:
InChI=1S/C8H9NO3/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4,10H,5-6H2
InChI Key:
SLRIOXRBAPBGEI-UHFFFAOYSA-N
SMILES:
OCCc1ccccc1[N+](=O)[O-]
UNII:
J2TPT86IRJ
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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