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1197193-33-1 | Benzoic acid, 3-chloro-4-(4-methyl-1-piperazinyl)-
CAS No: 1197193-33-1 Catalog No: AG000PIN MDL No:MFCD13191625
Product Description
Catalog Number:
AG000PIN
Chemical Name:
Benzoic acid, 3-chloro-4-(4-methyl-1-piperazinyl)-
CAS Number:
1197193-33-1
Molecular Formula:
C12H15ClN2O2
Molecular Weight:
254.7127
MDL Number:
MFCD13191625
IUPAC Name:
3-chloro-4-(4-methylpiperazin-1-yl)benzoic acid
InChI:
InChI=1S/C12H15ClN2O2/c1-14-4-6-15(7-5-14)11-3-2-9(12(16)17)8-10(11)13/h2-3,8H,4-7H2,1H3,(H,16,17)
InChI Key:
RSSBUWGQOMUQJI-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1ccc(cc1Cl)C(=O)O
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.082g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.714g/mol
Monoisotopic Mass:
254.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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