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Home > Nitro Compounds > 1003013-15-7
1003013-15-7 | 1-(cyclopropylmethyl)-3-nitro-pyrazole
CAS No: 1003013-15-7 Catalog No: AG019COA MDL No:MFCD09701713
Product Description
Catalog Number:
AG019COA
Chemical Name:
1-(cyclopropylmethyl)-3-nitro-pyrazole
CAS Number:
1003013-15-7
Molecular Formula:
C7H9N3O2
Molecular Weight:
167.1653
MDL Number:
MFCD09701713
IUPAC Name:
1-(cyclopropylmethyl)-3-nitropyrazole
InChI:
InChI=1S/C7H9N3O2/c11-10(12)7-3-4-9(8-7)5-6-1-2-6/h3-4,6H,1-2,5H2
InChI Key:
ATVMIAJOJCXJFJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccn(n1)CC1CC1
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.168g/mol
Monoisotopic Mass:
167.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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