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5400-78-2 | 1-(3-Nitrophenyl);ethanol
CAS No: 5400-78-2 Catalog No: AG003CXM MDL No:MFCD00053608
Product Description
Catalog Number:
AG003CXM
Chemical Name:
1-(3-Nitrophenyl);ethanol
CAS Number:
5400-78-2
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD00053608
IUPAC Name:
1-(3-nitrophenyl)ethanol
InChI:
InChI=1S/C8H9NO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-6,10H,1H3
InChI Key:
FRPQAVXDUWMFCK-UHFFFAOYSA-N
SMILES:
CC(c1cccc(c1)[N+](=O)[O-])O
NSC Number:
10385
Properties
Complexity:
166
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:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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