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14569-76-7 | Acetic acid, chloro-, 2-butyne-1,4-diyl ester (9CI)
CAS No: 14569-76-7 Catalog No: AG001DBB MDL No:
Product Description
Catalog Number:
AG001DBB
Chemical Name:
Acetic acid, chloro-, 2-butyne-1,4-diyl ester (9CI)
CAS Number:
14569-76-7
IUPAC Name:
4-(2-chloroacetyl)oxybut-2-ynyl 2-chloroacetate
InChI:
InChI=1S/C8H8Cl2O4/c9-5-7(11)13-3-1-2-4-14-8(12)6-10/h3-6H2
InChI Key:
GJBMLYJEBNBVPR-UHFFFAOYSA-N
EC Number:
238-612-7
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.98g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.048g/mol
Monoisotopic Mass:
237.98g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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