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81099-48-1 | Acetamide,2-chloro-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-
CAS No: 81099-48-1 Catalog No: AG00500W MDL No:MFCD01837495
Product Description
Catalog Number:
AG00500W
Chemical Name:
Acetamide,2-chloro-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-
CAS Number:
81099-48-1
Molecular Formula:
C13H20ClNO
Molecular Weight:
241.7570
MDL Number:
MFCD01837495
IUPAC Name:
N-(1-adamantylmethyl)-2-chloroacetamide
InChI:
InChI=1S/C13H20ClNO/c14-7-12(16)15-8-13-4-9-1-10(5-13)3-11(2-9)6-13/h9-11H,1-8H2,(H,15,16)
InChI Key:
DFXOTENDXREYFZ-UHFFFAOYSA-N
SMILES:
ClCC(=O)NCC12CC3CC(C2)CC(C1)C3
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.123g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.759g/mol
Monoisotopic Mass:
241.123g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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