Home Carboxys 5-Bromo-1-methyl-1H-pyrazole-4-carboxylic acid

5-Bromo-1-methyl-1H-pyrazole-4-carboxylic acid

CAS No.:
54367-67-8
Catalog Number:
AG00DLAD
Molecular Formula:
C5H5BrN2O2
Molecular Weight:
205.0094
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Product Description
Catalog Number:
AG00DLAD
Chemical Name:
5-Bromo-1-methyl-1H-pyrazole-4-carboxylic acid
CAS Number:
54367-67-8
Molecular Formula:
C5H5BrN2O2
Molecular Weight:
205.0094
MDL Number:
MFCD22052492
IUPAC Name:
5-bromo-1-methylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C5H5BrN2O2/c1-8-4(6)3(2-7-8)5(9)10/h2H,1H3,(H,9,10)
InChI Key:
NEWNBNRLTJOGAQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn(c1Br)C
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.953g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.011g/mol
Monoisotopic Mass:
203.953g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties