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Home > Nitro Compounds > 99420-22-1
99420-22-1 | 1,2,4-Benzotriazine, 6-nitro-3-phenyl-
CAS No: 99420-22-1 Catalog No: AG005SD6 MDL No:
Product Description
Catalog Number:
AG005SD6
Chemical Name:
1,2,4-Benzotriazine, 6-nitro-3-phenyl-
CAS Number:
99420-22-1
Molecular Formula:
C13H8N4O2
Molecular Weight:
252.2282
IUPAC Name:
6-nitro-3-phenyl-1,2,4-benzotriazine
InChI:
InChI=1S/C13H8N4O2/c18-17(19)10-6-7-11-12(8-10)14-13(16-15-11)9-4-2-1-3-5-9/h1-8H
InChI Key:
DOJYEKNYYLHYLX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)nc(nn2)c1ccccc1
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.065g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.233g/mol
Monoisotopic Mass:
252.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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