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149739-70-8 | 1H-Pyrazole, 4-bromo-3-(2-chlorophenyl)-
CAS No: 149739-70-8 Catalog No: AG001LYT MDL No:
Product Description
Catalog Number:
AG001LYT
Chemical Name:
1H-Pyrazole, 4-bromo-3-(2-chlorophenyl)-
CAS Number:
149739-70-8
Molecular Formula:
C9H6BrClN2
Molecular Weight:
257.5143
IUPAC Name:
4-bromo-5-(2-chlorophenyl)-1H-pyrazole
InChI:
InChI=1S/C9H6BrClN2/c10-7-5-12-13-9(7)6-3-1-2-4-8(6)11/h1-5H,(H,12,13)
InChI Key:
AKXAEGIYDBVHIR-UHFFFAOYSA-N
SMILES:
Clc1ccccc1c1n[nH]cc1Br
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.94g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.515g/mol
Monoisotopic Mass:
255.94g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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