200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 1420537-71-8
1420537-71-8 | 3-methyl-4-(3-nitrophenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CAS No: 1420537-71-8 Catalog No: AG00HWAL MDL No:MFCD22689146
Product Description
Catalog Number:
AG00HWAL
Chemical Name:
3-methyl-4-(3-nitrophenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CAS Number:
1420537-71-8
Molecular Formula:
C9H8N4O3
Molecular Weight:
220.1848
MDL Number:
MFCD22689146
IUPAC Name:
3-methyl-4-(3-nitrophenyl)-1H-1,2,4-triazol-5-one
InChI:
InChI=1S/C9H8N4O3/c1-6-10-11-9(14)12(6)7-3-2-4-8(5-7)13(15)16/h2-5H,1H3,(H,11,14)
InChI Key:
IKCAIMXHAJUZKD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)n1c(C)n[nH]c1=O
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.06g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.188g/mol
Monoisotopic Mass:
220.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.