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Home > Nitro Compounds > 1240578-90-8
1240578-90-8 | 1-heptyl-3-nitro-1H-pyrazole
CAS No: 1240578-90-8 Catalog No: AG00JUZC MDL No:MFCD16810623
Product Description
Catalog Number:
AG00JUZC
Chemical Name:
1-heptyl-3-nitro-1H-pyrazole
CAS Number:
1240578-90-8
Molecular Formula:
C10H17N3O2
Molecular Weight:
211.2609
MDL Number:
MFCD16810623
IUPAC Name:
1-heptyl-3-nitropyrazole
InChI:
InChI=1S/C10H17N3O2/c1-2-3-4-5-6-8-12-9-7-10(11-12)13(14)15/h7,9H,2-6,8H2,1H3
InChI Key:
AKFVGWUSKUSASG-UHFFFAOYSA-N
SMILES:
CCCCCCCn1ccc(n1)[N+](=O)[O-]
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.132g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.265g/mol
Monoisotopic Mass:
211.132g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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