Home Halogens 1-(3-bromophenyl)-1H-pyrazole-4-carboxylic acid

1-(3-bromophenyl)-1H-pyrazole-4-carboxylic acid

CAS No.:
1156994-32-9
Catalog Number:
AG01ABCX
Molecular Formula:
C10H7BrN2O2
Molecular Weight:
267.0788
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Product Description
Catalog Number:
AG01ABCX
Chemical Name:
1-(3-bromophenyl)-1H-pyrazole-4-carboxylic acid
CAS Number:
1156994-32-9
Molecular Formula:
C10H7BrN2O2
Molecular Weight:
267.0788
MDL Number:
MFCD12134476
IUPAC Name:
1-(3-bromophenyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C10H7BrN2O2/c11-8-2-1-3-9(4-8)13-6-7(5-12-13)10(14)15/h1-6H,(H,14,15)
InChI Key:
WTXNQMTYPOFZQC-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)n1ncc(c1)C(=O)O
Properties
Complexity:
250  
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:
2.1  
Properties