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100008-90-0 | Phenol, 2-(2,6-dimethyl-5-nitro-4-pyrimidinyl)-
CAS No: 100008-90-0 Catalog No: AG00009O MDL No:
Product Description
Catalog Number:
AG00009O
Chemical Name:
Phenol, 2-(2,6-dimethyl-5-nitro-4-pyrimidinyl)-
CAS Number:
100008-90-0
Molecular Formula:
C12H11N3O3
Molecular Weight:
245.2340
IUPAC Name:
2-(2,6-dimethyl-5-nitropyrimidin-4-yl)phenol
InChI:
InChI=1S/C12H11N3O3/c1-7-12(15(17)18)11(14-8(2)13-7)9-5-3-4-6-10(9)16/h3-6,16H,1-2H3
InChI Key:
ILYPIRNYPYEKPQ-UHFFFAOYSA-N
SMILES:
Cc1nc(C)c(c(n1)c1ccccc1O)[N+](=O)[O-]
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.238g/mol
Monoisotopic Mass:
245.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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