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Home > Other Heterocycles > 54057-58-8
54057-58-8 | 2-{bicyclo[2.2.1]heptan-2-yl}acetyl chloride
CAS No: 54057-58-8 Catalog No: AG01BB95 MDL No:MFCD11169652
Product Description
Catalog Number:
AG01BB95
Chemical Name:
2-{bicyclo[2.2.1]heptan-2-yl}acetyl chloride
CAS Number:
54057-58-8
Molecular Formula:
C9H13ClO
Molecular Weight:
172.6519
MDL Number:
MFCD11169652
IUPAC Name:
2-(2-bicyclo[2.2.1]heptanyl)acetyl chloride
InChI:
InChI=1S/C9H13ClO/c10-9(11)5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2
InChI Key:
SGEBCUSJUMCJGH-UHFFFAOYSA-N
SMILES:
ClC(=O)CC1CC2CC1CC2
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.065g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.652g/mol
Monoisotopic Mass:
172.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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