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168253-02-9 | 1-Piperidinecarbonylchloride, 2-methyl-, (S)- (9CI)
CAS No: 168253-02-9 Catalog No: AG001XXM MDL No:
Product Description
Catalog Number:
AG001XXM
Chemical Name:
1-Piperidinecarbonylchloride, 2-methyl-, (S)- (9CI)
CAS Number:
168253-02-9
Molecular Formula:
C7H12ClNO
Molecular Weight:
161.6293
IUPAC Name:
(2S)-2-methylpiperidine-1-carbonyl chloride
InChI:
InChI=1S/C7H12ClNO/c1-6-4-2-3-5-9(6)7(8)10/h6H,2-5H2,1H3/t6-/m0/s1
InChI Key:
QMIKDOBDKNYLGB-LURJTMIESA-N
SMILES:
C[C@H]1CCCCN1C(=O)Cl
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
161.061g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.629g/mol
Monoisotopic Mass:
161.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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