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144194-07-0

144194-07-0 | 3-Butenoic acid, 4-chloro-3,4-difluoro-2,2-dimethyl-, ethyl ester, (E)- (9CI)

CAS No: 144194-07-0 Catalog No: AG001J31 MDL No:

Product Description

Catalog Number:
AG001J31
Chemical Name:
3-Butenoic acid, 4-chloro-3,4-difluoro-2,2-dimethyl-, ethyl ester, (E)- (9CI)
CAS Number:
144194-07-0
Molecular Formula:
C8H11ClF2O2
Molecular Weight:
212.6215
IUPAC Name:
ethyl 4-chloro-3,4-difluoro-2,2-dimethylbut-3-enoate
InChI:
InChI=1S/C8H11ClF2O2/c1-4-13-7(12)8(2,3)5(10)6(9)11/h4H2,1-3H3
InChI Key:
AOHWDDBTLICGTC-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(/C(=C(\Cl)/F)/F)(C)C

Properties

Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.042g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.621g/mol
Monoisotopic Mass:
212.042g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.6  

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