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99923-35-0 | ETHYL 3-(1-CHLORO-2-METHYL-PROPYL)-2,2-BIS(TRIFLUOROMETHYL)CYCLOPROPANE-1-CARBOXYLATE
CAS No: 99923-35-0 Catalog No: AG003VLM MDL No:
Product Description
Catalog Number:
AG003VLM
Chemical Name:
ETHYL 3-(1-CHLORO-2-METHYL-PROPYL)-2,2-BIS(TRIFLUOROMETHYL)CYCLOPROPANE-1-CARBOXYLATE
CAS Number:
99923-35-0
Molecular Formula:
C12H15ClF6O2
Molecular Weight:
340.6897
IUPAC Name:
ethyl 3-(1-chloro-2-methylpropyl)-2,2-bis(trifluoromethyl)cyclopropane-1-carboxylate
InChI:
InChI=1S/C12H15ClF6O2/c1-4-21-9(20)7-6(8(13)5(2)3)10(7,11(14,15)16)12(17,18)19/h5-8H,4H2,1-3H3
InChI Key:
YBHZVSSBTZLQON-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1C(C1(C(F)(F)F)C(F)(F)F)C(C(C)C)Cl
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.066g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.69g/mol
Monoisotopic Mass:
340.066g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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