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198141-11-6 | 2-Cyclohexen-1-one, 3-[(2-chloro-3-pyridinyl)ethylamino]-
CAS No: 198141-11-6 Catalog No: AG002BBC MDL No:
Product Description
Catalog Number:
AG002BBC
Chemical Name:
2-Cyclohexen-1-one, 3-[(2-chloro-3-pyridinyl)ethylamino]-
CAS Number:
198141-11-6
Molecular Formula:
C13H15ClN2O
Molecular Weight:
250.7240
IUPAC Name:
3-[2-(2-chloropyridin-3-yl)ethylamino]cyclohex-2-en-1-one
InChI:
InChI=1S/C13H15ClN2O/c14-13-10(3-2-7-16-13)6-8-15-11-4-1-5-12(17)9-11/h2-3,7,9,15H,1,4-6,8H2
InChI Key:
WDWDZZSMOLCMEM-UHFFFAOYSA-N
SMILES:
Clc1ncccc1CCNC1=CC(=O)CCC1
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.726g/mol
Monoisotopic Mass:
250.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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