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Home > Nitro Compounds > 13073-29-5
13073-29-5 | Phenol, 2-methyl-6-nitro-
CAS No: 13073-29-5 Catalog No: AG000UWD MDL No:MFCD00031116
Product Description
Catalog Number:
AG000UWD
Chemical Name:
Phenol, 2-methyl-6-nitro-
CAS Number:
13073-29-5
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
MDL Number:
MFCD00031116
IUPAC Name:
2-methyl-6-nitrophenol
InChI:
InChI=1S/C7H7NO3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3
InChI Key:
AQDKZPFDOWHRDZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1O)C
NSC Number:
28585
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.137g/mol
Monoisotopic Mass:
153.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Investigations on the gas-phase photolysis and OH radical kinetics of methyl-2-nitrophenols. | Physical chemistry chemical physics : PCCP 20071114 |
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