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132026-53-0 | 1H-Pyrazole, 3-(bromomethyl)-5-chloro-1-methyl-4-nitro-
CAS No: 132026-53-0 Catalog No: AG00102I MDL No:
Product Description
Catalog Number:
AG00102I
Chemical Name:
1H-Pyrazole, 3-(bromomethyl)-5-chloro-1-methyl-4-nitro-
CAS Number:
132026-53-0
Molecular Formula:
C5H5BrClN3O2
Molecular Weight:
254.4691
IUPAC Name:
3-(bromomethyl)-5-chloro-1-methyl-4-nitropyrazole
InChI:
InChI=1S/C5H5BrClN3O2/c1-9-5(7)4(10(11)12)3(2-6)8-9/h2H2,1H3
InChI Key:
BJORORYOSRNSSC-UHFFFAOYSA-N
SMILES:
BrCc1nn(c(c1[N+](=O)[O-])Cl)C
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.925g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.468g/mol
Monoisotopic Mass:
252.925g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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