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Home > Other Heterocycles > 738567-65-2
738567-65-2 | 2-Azabicyclo[2.2.1]heptane-3-carbonylchloride, (1S,3R,4R)-
CAS No: 738567-65-2 Catalog No: AG005K6J MDL No:
Product Description
Catalog Number:
AG005K6J
Chemical Name:
2-Azabicyclo[2.2.1]heptane-3-carbonylchloride, (1S,3R,4R)-
CAS Number:
738567-65-2
Molecular Formula:
C7H10ClNO
Molecular Weight:
159.6134
IUPAC Name:
(1S,3R,4R)-2-azabicyclo[2.2.1]heptane-3-carbonyl chloride
InChI:
InChI=1S/C7H10ClNO/c8-7(10)6-4-1-2-5(3-4)9-6/h4-6,9H,1-3H2/t4-,5+,6-/m1/s1
InChI Key:
YFLOEGCHJQLXKA-NGJCXOISSA-N
SMILES:
ClC(=O)[C@@H]1N[C@@H]2C[C@H]1CC2
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
159.045g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.613g/mol
Monoisotopic Mass:
159.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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