Home Nitros Benzenemethanol, 2-methyl-4-nitro-

Benzenemethanol, 2-methyl-4-nitro-

CAS No.:
22162-15-8
Catalog Number:
AG00BI2Z
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
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Product Description
Catalog Number:
AG00BI2Z
Chemical Name:
Benzenemethanol, 2-methyl-4-nitro-
CAS Number:
22162-15-8
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD12755934
IUPAC Name:
(2-methyl-4-nitrophenyl)methanol
InChI:
InChI=1S/C8H9NO3/c1-6-4-8(9(11)12)3-2-7(6)5-10/h2-4,10H,5H2,1H3
InChI Key:
PXSWIWNWHAUARP-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1C)[N+](=O)[O-]
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties