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Home > Nitro Compounds > 1003012-12-1
1003012-12-1 | 1-(3-methylbutyl)-3-nitro-1H-pyrazole
CAS No: 1003012-12-1 Catalog No: AG00JUZ4 MDL No:MFCD16810610
Product Description
Catalog Number:
AG00JUZ4
Chemical Name:
1-(3-methylbutyl)-3-nitro-1H-pyrazole
CAS Number:
1003012-12-1
Molecular Formula:
C8H13N3O2
Molecular Weight:
183.2077
MDL Number:
MFCD16810610
IUPAC Name:
1-(3-methylbutyl)-3-nitropyrazole
InChI:
InChI=1S/C8H13N3O2/c1-7(2)3-5-10-6-4-8(9-10)11(12)13/h4,6-7H,3,5H2,1-2H3
InChI Key:
IPMHKTSLLIWLKJ-UHFFFAOYSA-N
SMILES:
CC(CCn1ccc(n1)[N+](=O)[O-])C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.101g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.211g/mol
Monoisotopic Mass:
183.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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