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914349-46-5,MFCD05864817
Catalog No.:AA003I30
914349-46-5 | 3-(6-Chloropyridazin-3-yl)benzoic acid
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Quantity
  
250mg
95%
in stock  
$138.00   $96.00
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1g
95%
in stock  
$381.00   $267.00
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  • Technical Information
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Technical Information
Catalog Number:
AA003I30
Chemical Name:
3-(6-Chloropyridazin-3-yl)benzoic acid
CAS Number:
914349-46-5
Molecular Formula:
C11H7ClN2O2
Molecular Weight:
234.6385
MDL Number:
MFCD05864817
IUPAC Name:
3-(6-chloropyridazin-3-yl)benzoic acid
InChI:
InChI=1S/C11H7ClN2O2/c12-10-5-4-9(13-14-10)7-2-1-3-8(6-7)11(15)16/h1-6H,(H,15,16)
InChI Key:
UNZBOMFXUMHBFC-UHFFFAOYSA-N
SMILES:
Clc1ccc(nn1)c1cccc(c1)C(=O)O
Properties
Computed Properties
 
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.02g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.639g/mol
Monoisotopic Mass:
234.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Synonyms
 
3-(6-Chloropyridazin-3-yl)benzoic acid 
914349-46-5 
SBB098302 
AKOS015850243 
DS-0139 
3-(3-Carboxyphenyl)-6-chloropyridazine 
AJ-40926 
BR-17719 
AX8159484 
DB-001693 
TR-028795 
4CH-008281 
AK-17719 
FT-0691923 
ST24028319 
W9447 
S-4007 
3-(6-chloropyridazin-3-yl)benzoic acid, AldrichCPR 
3- benzoicacid 
C11H7ClN2O2 
3-(6-Chloropyridazin-3-yl)benzoicacid 
ACMC-20a0ib 
CTK5G9634 
DTXSID20661697 
KS-000000UJ 
ZINC2563831 
ANW-51585 
MFCD05864817 
Literature
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