Home Carboxys 2-Chloro-4-(1-pyrrolidinyl)benzenecarboxylic acid

2-Chloro-4-(1-pyrrolidinyl)benzenecarboxylic acid

CAS No.:
192513-60-3
Catalog Number:
AG002G1A
Molecular Formula:
C11H12ClNO2
Molecular Weight:
225.6715
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>97%
In Stock USA
United States
$193
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Product Description
Catalog Number:
AG002G1A
Chemical Name:
2-Chloro-4-(1-pyrrolidinyl)benzenecarboxylic acid
CAS Number:
192513-60-3
Molecular Formula:
C11H12ClNO2
Molecular Weight:
225.6715
MDL Number:
MFCD03001210
IUPAC Name:
2-chloro-4-pyrrolidin-1-ylbenzoic acid
InChI:
InChI=1S/C11H12ClNO2/c12-10-7-8(13-5-1-2-6-13)3-4-9(10)11(14)15/h3-4,7H,1-2,5-6H2,(H,14,15)
InChI Key:
QMZLYZCZDQIOIL-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1Cl)N1CCCC1
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.056g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.672g/mol
Monoisotopic Mass:
225.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties