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Home > Nitro Compounds > 1240569-04-3
1240569-04-3 | 1-(heptan-2-yl)-4-nitro-1H-pyrazole
CAS No: 1240569-04-3 Catalog No: AG00JV1T MDL No:MFCD16810753
Product Description
Catalog Number:
AG00JV1T
Chemical Name:
1-(heptan-2-yl)-4-nitro-1H-pyrazole
CAS Number:
1240569-04-3
Molecular Formula:
C10H17N3O2
Molecular Weight:
211.2609
MDL Number:
MFCD16810753
IUPAC Name:
1-heptan-2-yl-4-nitropyrazole
InChI:
InChI=1S/C10H17N3O2/c1-3-4-5-6-9(2)12-8-10(7-11-12)13(14)15/h7-9H,3-6H2,1-2H3
InChI Key:
HKENSBZQLNFAIK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn(nc1)C(CCCCC)C
Properties
Complexity:
205
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:
5
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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