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149739-38-8 | 1H-Pyrazole, 4-bromo-3-(3-chlorophenyl)-
CAS No: 149739-38-8 Catalog No: AG001LYW MDL No:MFCD09027570
Product Description
Catalog Number:
AG001LYW
Chemical Name:
1H-Pyrazole, 4-bromo-3-(3-chlorophenyl)-
CAS Number:
149739-38-8
Molecular Formula:
C9H6BrClN2
Molecular Weight:
257.5143
MDL Number:
MFCD09027570
IUPAC Name:
4-bromo-5-(3-chlorophenyl)-1H-pyrazole
InChI:
InChI=1S/C9H6BrClN2/c10-8-5-12-13-9(8)6-2-1-3-7(11)4-6/h1-5H,(H,12,13)
InChI Key:
VTGWOARMLBWLLG-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)c1n[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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