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Home Halogens 2,4-Dichlorocinnamic acid

2,4-Dichlorocinnamic acid

CAS No.:
1201-99-6
Catalog Number:
AG000QAQ
Molecular Formula:
C9H6Cl2O2
Molecular Weight:
217.0487
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
99%(HPLC)
In Stock USA
United States
$91
- +
25g
99%(HPLC)
In Stock USA
United States
$240
- +
Product Description
Catalog Number:
AG000QAQ
Chemical Name:
2,4-Dichlorocinnamic acid
CAS Number:
1201-99-6
Molecular Formula:
C9H6Cl2O2
Molecular Weight:
217.0487
MDL Number:
MFCD00004373
IUPAC Name:
(E)-3-(2,4-dichlorophenyl)prop-2-enoic acid
InChI:
InChI=1S/C9H6Cl2O2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
InChI Key:
MEBWABJHRAYGFW-DUXPYHPUSA-N
SMILES:
OC(=O)C=Cc1ccc(cc1Cl)Cl
EC Number:
214-860-1
UNII:
C09KK5D2T2
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
215.974g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.045g/mol
Monoisotopic Mass:
215.974g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Aspects of the photodimerization mechanism of 2,4-dichlorocinnamic acid studied by kinetic photocrystallography. The journal of physical chemistry. A 20060309
Properties