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Home > Nitro Compounds > 1240571-17-8
1240571-17-8 | 3-nitro-1-(2-phenoxyethyl)-1H-pyrazole
CAS No: 1240571-17-8 Catalog No: AG00JUZF MDL No:MFCD16810625
Product Description
Catalog Number:
AG00JUZF
Chemical Name:
3-nitro-1-(2-phenoxyethyl)-1H-pyrazole
CAS Number:
1240571-17-8
Molecular Formula:
C11H11N3O3
Molecular Weight:
233.2233
MDL Number:
MFCD16810625
IUPAC Name:
3-nitro-1-(2-phenoxyethyl)pyrazole
InChI:
InChI=1S/C11H11N3O3/c15-14(16)11-6-7-13(12-11)8-9-17-10-4-2-1-3-5-10/h1-7H,8-9H2
InChI Key:
RRRMZCCQUFINNB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccn(n1)CCOc1ccccc1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.227g/mol
Monoisotopic Mass:
233.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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