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Home Carboxys 4-Bromo-1,5-dimethyl-1h-pyrazole-3-carboxylic acid

4-Bromo-1,5-dimethyl-1h-pyrazole-3-carboxylic acid

CAS No.:
5775-91-7
Catalog Number:
AG00EDWQ
Molecular Formula:
C6H7BrN2O2
Molecular Weight:
219.0360
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$129
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Product Description
Catalog Number:
AG00EDWQ
Chemical Name:
4-Bromo-1,5-dimethyl-1h-pyrazole-3-carboxylic acid
CAS Number:
5775-91-7
Molecular Formula:
C6H7BrN2O2
Molecular Weight:
219.0360
MDL Number:
MFCD02090877
IUPAC Name:
4-bromo-1,5-dimethylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C6H7BrN2O2/c1-3-4(7)5(6(10)11)8-9(3)2/h1-2H3,(H,10,11)
InChI Key:
HYGZWJRDMQFLCD-UHFFFAOYSA-N
SMILES:
OC(=O)c1nn(c(c1Br)C)C
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.969g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.038g/mol
Monoisotopic Mass:
217.969g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties