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28693-00-7 | Acetic acid, 2-chloro-, bicyclo[2.2.1]hept-5-en-2-ylmethyl ester
CAS No: 28693-00-7 Catalog No: AG002W3X MDL No:
Product Description
Catalog Number:
AG002W3X
Chemical Name:
Acetic acid, 2-chloro-, bicyclo[2.2.1]hept-5-en-2-ylmethyl ester
CAS Number:
28693-00-7
Molecular Formula:
C10H13ClO2
Molecular Weight:
200.6620
IUPAC Name:
2-bicyclo[2.2.1]hept-5-enylmethyl 2-chloroacetate
InChI:
InChI=1S/C10H13ClO2/c11-5-10(12)13-6-9-4-7-1-2-8(9)3-7/h1-2,7-9H,3-6H2
InChI Key:
YEQPPBCBKNMCKW-UHFFFAOYSA-N
SMILES:
ClCC(=O)OCC1CC2CC1C=C2
EC Number:
249-163-1
NSC Number:
44517
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.06g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.662g/mol
Monoisotopic Mass:
200.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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