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100008-89-7 | Phenol, 2-(2-amino-6-methyl-5-nitro-4-pyrimidinyl)-
CAS No: 100008-89-7 Catalog No: AG00009P MDL No:
Product Description
Catalog Number:
AG00009P
Chemical Name:
Phenol, 2-(2-amino-6-methyl-5-nitro-4-pyrimidinyl)-
CAS Number:
100008-89-7
Molecular Formula:
C11H10N4O3
Molecular Weight:
246.2221
IUPAC Name:
2-(2-amino-6-methyl-5-nitropyrimidin-4-yl)phenol
InChI:
InChI=1S/C11H10N4O3/c1-6-10(15(17)18)9(14-11(12)13-6)7-4-2-3-5-8(7)16/h2-5,16H,1H3,(H2,12,13,14)
InChI Key:
XEWFPQXTWQUZQA-UHFFFAOYSA-N
SMILES:
Nc1nc(C)c(c(n1)c1ccccc1O)[N+](=O)[O-]
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.226g/mol
Monoisotopic Mass:
246.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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