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31123-18-9 | 1H-1,2,4-Triazole, 5-chloro-1-methyl-3-nitro-
CAS No: 31123-18-9 Catalog No: AG00326V MDL No:
Product Description
Catalog Number:
AG00326V
Chemical Name:
1H-1,2,4-Triazole, 5-chloro-1-methyl-3-nitro-
CAS Number:
31123-18-9
Molecular Formula:
C3H3ClN4O2
Molecular Weight:
162.5345
IUPAC Name:
5-chloro-1-methyl-3-nitro-1,2,4-triazole
InChI:
InChI=1S/C3H3ClN4O2/c1-7-2(4)5-3(6-7)8(9)10/h1H3
InChI Key:
PEOYFCZHWMZUAG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nn(c(n1)Cl)C
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.994g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.533g/mol
Monoisotopic Mass:
161.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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