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866008-84-6 | 6-chloro-N-(1-ethynylcyclohexyl)pyridine-2-carboxamide
CAS No: 866008-84-6 Catalog No: AG00IT96 MDL No:MFCD05670178
Product Description
Catalog Number:
AG00IT96
Chemical Name:
6-chloro-N-(1-ethynylcyclohexyl)pyridine-2-carboxamide
CAS Number:
866008-84-6
Molecular Formula:
C14H15ClN2O
Molecular Weight:
262.7347
MDL Number:
MFCD05670178
IUPAC Name:
6-chloro-N-(1-ethynylcyclohexyl)pyridine-2-carboxamide
InChI:
InChI=1S/C14H15ClN2O/c1-2-14(9-4-3-5-10-14)17-13(18)11-7-6-8-12(15)16-11/h1,6-8H,3-5,9-10H2,(H,17,18)
InChI Key:
VCAAACAHXWOJQT-UHFFFAOYSA-N
SMILES:
C#CC1(CCCCC1)NC(=O)c1cccc(n1)Cl
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.087g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.737g/mol
Monoisotopic Mass:
262.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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