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2042-14-0 | Phenol, 4-methyl-3-nitro-
CAS No: 2042-14-0 Catalog No: AG0029C9 MDL No:MFCD00007244
Product Description
Catalog Number:
AG0029C9
Chemical Name:
Phenol, 4-methyl-3-nitro-
CAS Number:
2042-14-0
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
MDL Number:
MFCD00007244
IUPAC Name:
4-methyl-3-nitrophenol
InChI:
InChI=1S/C7H7NO3/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4,9H,1H3
InChI Key:
BQEXDUKMTVYBRK-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)[N+](=O)[O-])C
EC Number:
218-044-6
UNII:
4B422HUD6H
NSC Number:
41205
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:
2.1
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