Home Halogens 4-bromo-1-phenyl-1H-pyrazole-3-carboxylic acid

4-bromo-1-phenyl-1H-pyrazole-3-carboxylic acid

CAS No.:
1156392-45-8
Catalog Number:
AG01E9LU
Molecular Formula:
C10H7BrN2O2
Molecular Weight:
267.0788
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Product Description
Catalog Number:
AG01E9LU
Chemical Name:
4-bromo-1-phenyl-1H-pyrazole-3-carboxylic acid
CAS Number:
1156392-45-8
Molecular Formula:
C10H7BrN2O2
Molecular Weight:
267.0788
MDL Number:
MFCD12181672
IUPAC Name:
4-bromo-1-phenylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C10H7BrN2O2/c11-8-6-13(12-9(8)10(14)15)7-4-2-1-3-5-7/h1-6H,(H,14,15)
InChI Key:
MRFHFRXRPLJKRJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1nn(cc1Br)c1ccccc1
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.969g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
267.082g/mol
Monoisotopic Mass:
265.969g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties