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Home > Nitro Compounds > 7746-35-2
7746-35-2 | 3-Methyl-1-(3-nitrophenyl);-1H-indazole
CAS No: 7746-35-2 Catalog No: AG0053DN MDL No:
Product Description
Catalog Number:
AG0053DN
Chemical Name:
3-Methyl-1-(3-nitrophenyl);-1H-indazole
CAS Number:
7746-35-2
Molecular Formula:
C14H11N3O2
Molecular Weight:
253.2560
IUPAC Name:
3-methyl-1-(3-nitrophenyl)indazole
InChI:
InChI=1S/C14H11N3O2/c1-10-13-7-2-3-8-14(13)16(15-10)11-5-4-6-12(9-11)17(18)19/h2-9H,1H3
InChI Key:
CRSIFRAIZXAGMW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)n1nc(c2c1cccc2)C
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.261g/mol
Monoisotopic Mass:
253.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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