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Home > Nitro Compounds > 100193-74-6
100193-74-6 | 1-Benzyl-3,5-dimethyl-4-nitro-1H-pyrazole
CAS No: 100193-74-6 Catalog No: AG00H96L MDL No:MFCD00546042
Product Description
Catalog Number:
AG00H96L
Chemical Name:
1-Benzyl-3,5-dimethyl-4-nitro-1H-pyrazole
CAS Number:
100193-74-6
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
MDL Number:
MFCD00546042
IUPAC Name:
1-benzyl-3,5-dimethyl-4-nitropyrazole
InChI:
InChI=1S/C12H13N3O2/c1-9-12(15(16)17)10(2)14(13-9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChI Key:
MYVFMBDPEXBOSC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)nn(c1C)Cc1ccccc1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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