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Home > Nitro Compounds > 2060035-41-6
2060035-41-6 | 2-(3-nitrophenyl)-5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyrazine
CAS No: 2060035-41-6 Catalog No: AG01BOIL MDL No:MFCD30499172
Product Description
Catalog Number:
AG01BOIL
Chemical Name:
2-(3-nitrophenyl)-5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyrazine
CAS Number:
2060035-41-6
Molecular Formula:
C11H11N5O2
Molecular Weight:
245.2373
MDL Number:
MFCD30499172
IUPAC Name:
2-(3-nitrophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine
InChI:
InChI=1S/C11H11N5O2/c17-16(18)9-3-1-2-8(6-9)11-13-10-7-12-4-5-15(10)14-11/h1-3,6,12H,4-5,7H2
InChI Key:
WSKCCXFCMTXHIE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1nn2c(n1)CNCC2
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.091g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.242g/mol
Monoisotopic Mass:
245.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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