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Home > Nitro Compounds > 1207176-03-1
1207176-03-1 | 1-[(1,3-dioxolan-2-yl)methyl]-4-nitro-1H-pyrazole
CAS No: 1207176-03-1 Catalog No: AG00JV1C MDL No:
Product Description
Catalog Number:
AG00JV1C
Chemical Name:
1-[(1,3-dioxolan-2-yl)methyl]-4-nitro-1H-pyrazole
CAS Number:
1207176-03-1
Molecular Formula:
C7H9N3O4
Molecular Weight:
199.1641
IUPAC Name:
1-(1,3-dioxolan-2-ylmethyl)-4-nitropyrazole
InChI:
InChI=1S/C7H9N3O4/c11-10(12)6-3-8-9(4-6)5-7-13-1-2-14-7/h3-4,7H,1-2,5H2
InChI Key:
QDFTUNRCZSUESP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnn(c1)CC1OCCO1
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.166g/mol
Monoisotopic Mass:
199.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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