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3-(4-Bromophenyl)-1H-pyrazole-5-carboxylic acid

CAS No.:
46413-66-5
Catalog Number:
AG003I35
Molecular Formula:
C10H7BrN2O2
Molecular Weight:
267.0788
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$50
- +
5g
98%
In Stock USA
United States
$188
- +
10g
98%
In Stock USA
United States
$313
- +
25g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG003I35
Chemical Name:
3-(4-Bromophenyl)-1H-pyrazole-5-carboxylic acid
CAS Number:
46413-66-5
Molecular Formula:
C10H7BrN2O2
Molecular Weight:
267.0788
MDL Number:
MFCD06200702
IUPAC Name:
3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C10H7BrN2O2/c11-7-3-1-6(2-4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)
InChI Key:
QEOVHDPWTQAMLB-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1n[nH]c(c1)C(=O)O
Properties
Complexity:
242  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
267.082g/mol
Monoisotopic Mass:
265.969g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties