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915921-24-3 | 2-CHLORO-5-(1-PIPERIDINYL)BENZOIC ACID
CAS No: 915921-24-3 Catalog No: AG006GL5 MDL No:MFCD08691852
Product Description
Catalog Number:
AG006GL5
Chemical Name:
2-CHLORO-5-(1-PIPERIDINYL)BENZOIC ACID
CAS Number:
915921-24-3
Molecular Formula:
C12H14ClNO2
Molecular Weight:
239.6981
MDL Number:
MFCD08691852
IUPAC Name:
2-chloro-5-piperidin-1-ylbenzoic acid
InChI:
InChI=1S/C12H14ClNO2/c13-11-5-4-9(8-10(11)12(15)16)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,15,16)
InChI Key:
QARRYDHZJVYXCJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1Cl)N1CCCCC1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.071g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.699g/mol
Monoisotopic Mass:
239.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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