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Home > Other Heterocycles > 141453-95-4
141453-95-4 | 1-Azabicyclo[3.2.1]oct-3-ene-3-carbonyl chloride
CAS No: 141453-95-4 Catalog No: AG001GFL MDL No:
Product Description
Catalog Number:
AG001GFL
Chemical Name:
1-Azabicyclo[3.2.1]oct-3-ene-3-carbonyl chloride
CAS Number:
141453-95-4
Molecular Formula:
C8H10ClNO
Molecular Weight:
171.6241
IUPAC Name:
1-azabicyclo[3.2.1]oct-3-ene-3-carbonyl chloride
InChI:
InChI=1S/C8H10ClNO/c9-8(11)7-3-6-1-2-10(4-6)5-7/h3,6H,1-2,4-5H2
InChI Key:
XKXPEYHOCVPVAX-UHFFFAOYSA-N
SMILES:
ClC(=O)C1=CC2CN(C1)CC2
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.045g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.624g/mol
Monoisotopic Mass:
171.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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