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Home Halogens Benzoic acid, 4-chloro-3-(2,5-dimethyl-1H-pyrrol-1-yl)-

Benzoic acid, 4-chloro-3-(2,5-dimethyl-1H-pyrrol-1-yl)-

CAS No.:
26165-62-8
Catalog Number:
AG002RYM
Molecular Formula:
C13H12ClNO2
Molecular Weight:
249.6929
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG002RYM
Chemical Name:
Benzoic acid, 4-chloro-3-(2,5-dimethyl-1H-pyrrol-1-yl)-
CAS Number:
26165-62-8
Molecular Formula:
C13H12ClNO2
Molecular Weight:
249.6929
MDL Number:
MFCD01762487
IUPAC Name:
4-chloro-3-(2,5-dimethylpyrrol-1-yl)benzoic acid
InChI:
InChI=1S/C13H12ClNO2/c1-8-3-4-9(2)15(8)12-7-10(13(16)17)5-6-11(12)14/h3-7H,1-2H3,(H,16,17)
InChI Key:
RDTROARYSPBJMT-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1n1c(C)ccc1C)C(=O)O
Properties
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.056g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.694g/mol
Monoisotopic Mass:
249.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties