Home Bromides 46413-66-5
46413-66-5,MFCD06200702
Catalog No.:AA003I0D
46413-66-5 | 3-(4-Bromophenyl)-1H-pyrazole-5-carboxylic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$58.00   $40.00
- +
5g
98%
in stock  
$215.00   $150.00
- +
10g
98%
in stock  
$397.00   $278.00
- +
25g
98%
in stock  
$762.00   $534.00
  • Technical Information
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Technical Information
Catalog Number:
AA003I0D
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
Computed 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  

Synonyms
 
3-(4-Bromophenyl)-1H-pyrazole-5-carboxylic acid 
46413-66-5 
SCHEMBL1413926 
CTK1D5577 
CTK3E7207 
KS-00001NGN 
ACT07846 
ALBB-006693 
ZINC8699906 
BBL008314 
SBB039920 
STK501289 
5-(4-BROMOPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID 
AKOS000266377 
AKOS001063499 
AKOS025394694 
AB12674 
BS-4864 
MCULE-5048123875 
AB0051613 
BB 0239270 
FT-0679248 
ST45179115 
MFCD06200702 
V6061 
EN300-13028 
VU0607297-1 
A-7761 
5-(4-Bromo-phenyl)-2H-pyrazole-3-carboxyli c acid 
I04-3569 
I04-9606 
Z56795085 
3-(4-Bromophenyl)-1H-pyrazole-5-carboxylic acid, 97% 
F3250-0623 
1H-Pyrazole-3-carboxylicacid, 5-(4-bromophenyl)- 
C10H7BrN2O2 
CID4737228 
5-(4-bromophenyl)-2H-pyrazole-3-carboxylic Acid 
890591-20-5 
1H-Pyrazole-5-carboxylicacid, 3-(4-bromophenyl)- 
3-(4-bromophenyl)pyrazole-5-carboxylic acid 
ACMC-20anko 
AC1NHAW2 
AC1Q72XG 
Literature
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