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Home Other Building Blocks 4-Chloro-3-(3,4-methylenedioxyphenyl)benzoic acid

4-Chloro-3-(3,4-methylenedioxyphenyl)benzoic acid

CAS No.:
1181596-03-1
Catalog Number:
AG009495
Molecular Formula:
C14H9ClO4
Molecular Weight:
276.6719
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$250
- +
1g
97%
In Stock USA
United States
$513
- +
Product Description
Catalog Number:
AG009495
Chemical Name:
4-Chloro-3-(3,4-methylenedioxyphenyl)benzoic acid
CAS Number:
1181596-03-1
Molecular Formula:
C14H9ClO4
Molecular Weight:
276.6719
MDL Number:
MFCD11933784
IUPAC Name:
3-(1,3-benzodioxol-5-yl)-4-chlorobenzoic acid
InChI:
InChI=1S/C14H9ClO4/c15-11-3-1-9(14(16)17)5-10(11)8-2-4-12-13(6-8)19-7-18-12/h1-6H,7H2,(H,16,17)
InChI Key:
NTLUFPJEGYDILE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)c1ccc2c(c1)OCO2)Cl
Properties
Complexity:
348  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.019g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
276.672g/mol
Monoisotopic Mass:
276.019g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties