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88974-91-8 | Benzenamine, N,N-dimethyl-4-(7-nitro-1,2,4-triazolo[4,3-a]pyridin-3-yl)-
CAS No: 88974-91-8 Catalog No: AG0046KF MDL No:
Product Description
Catalog Number:
AG0046KF
Chemical Name:
Benzenamine, N,N-dimethyl-4-(7-nitro-1,2,4-triazolo[4,3-a]pyridin-3-yl)-
CAS Number:
88974-91-8
Molecular Formula:
C14H13N5O2
Molecular Weight:
283.2853
IUPAC Name:
N,N-dimethyl-4-(7-nitro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
InChI:
InChI=1S/C14H13N5O2/c1-17(2)11-5-3-10(4-6-11)14-16-15-13-9-12(19(20)21)7-8-18(13)14/h3-9H,1-2H3
InChI Key:
JXSSRPJHPFOSKL-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)c1nnc2n1ccc(c2)[N+](=O)[O-])C
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.107g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.291g/mol
Monoisotopic Mass:
283.107g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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