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1003011-48-0 | 1-(2-CHLORO-6-FLUORO-BENZYL)-4-NITRO-1H-PYRAZOLE
CAS No: 1003011-48-0 Catalog No: AG008RYK MDL No:MFCD02755639
Product Description
Catalog Number:
AG008RYK
Chemical Name:
1-(2-CHLORO-6-FLUORO-BENZYL)-4-NITRO-1H-PYRAZOLE
CAS Number:
1003011-48-0
Molecular Formula:
C10H7Cl2N3O2
Molecular Weight:
272.0875
MDL Number:
MFCD02755639
IUPAC Name:
1-[(3,4-dichlorophenyl)methyl]-3-nitropyrazole
InChI:
InChI=1S/C10H7Cl2N3O2/c11-8-2-1-7(5-9(8)12)6-14-4-3-10(13-14)15(16)17/h1-5H,6H2
InChI Key:
IYWRZKLNKGRWRB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccn(n1)Cc1ccc(c(c1)Cl)Cl
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.992g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.085g/mol
Monoisotopic Mass:
270.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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