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Home > Nitro Compounds > 865305-38-0
865305-38-0 | Phenol, 4-methoxy-2-(1-methylethyl)-3-nitro-
CAS No: 865305-38-0 Catalog No: AG004PSJ MDL No:
Product Description
Catalog Number:
AG004PSJ
Chemical Name:
Phenol, 4-methoxy-2-(1-methylethyl)-3-nitro-
CAS Number:
865305-38-0
Molecular Formula:
C10H13NO4
Molecular Weight:
211.2145
IUPAC Name:
4-methoxy-3-nitro-2-propan-2-ylphenol
InChI:
InChI=1S/C10H13NO4/c1-6(2)9-7(12)4-5-8(15-3)10(9)11(13)14/h4-6,12H,1-3H3
InChI Key:
MKCSXRVFIMJCSM-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1[N+](=O)[O-])C(C)C)O
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.217g/mol
Monoisotopic Mass:
211.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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