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Home > Nitro Compounds > 98157-52-9
98157-52-9 | 3-METHYL-5-NITRO-1-PHENYL-1H-PYRAZOLO[3,4-B]PYRIDINE
CAS No: 98157-52-9 Catalog No: AG01AOBQ MDL No:MFCD08256115
Product Description
Catalog Number:
AG01AOBQ
Chemical Name:
3-METHYL-5-NITRO-1-PHENYL-1H-PYRAZOLO[3,4-B]PYRIDINE
CAS Number:
98157-52-9
Molecular Formula:
C13H10N4O2
Molecular Weight:
254.2441
MDL Number:
MFCD08256115
IUPAC Name:
3-methyl-5-nitro-1-phenylpyrazolo[3,4-b]pyridine
InChI:
InChI=1S/C13H10N4O2/c1-9-12-7-11(17(18)19)8-14-13(12)16(15-9)10-5-3-2-4-6-10/h2-8H,1H3
InChI Key:
MTQWULBJDCTCHT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc2c(c1)c(C)nn2c1ccccc1
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.249g/mol
Monoisotopic Mass:
254.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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