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Home > Nitro Compounds > 96156-72-8
96156-72-8 | (1S)-1-(4-nitrophenyl)ethan-1-ol
CAS No: 96156-72-8 Catalog No: AG019Y6E MDL No:MFCD11046355
Product Description
Catalog Number:
AG019Y6E
Chemical Name:
(1S)-1-(4-nitrophenyl)ethan-1-ol
CAS Number:
96156-72-8
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD11046355
IUPAC Name:
(1S)-1-(4-nitrophenyl)ethanol
InChI:
InChI=1S/C8H9NO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-6,10H,1H3/t6-/m0/s1
InChI Key:
CRJFHXYELTYDSG-LURJTMIESA-N
SMILES:
C[C@@H](c1ccc(cc1)[N+](=O)[O-])O
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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