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25006-60-4 | Acetic acid, 2,2-dichloro-, 1-methylethyl ester
CAS No: 25006-60-4 Catalog No: AG002Q5T MDL No:
Product Description
Catalog Number:
AG002Q5T
Chemical Name:
Acetic acid, 2,2-dichloro-, 1-methylethyl ester
CAS Number:
25006-60-4
Molecular Formula:
C5H8Cl2O2
Molecular Weight:
171.0218
IUPAC Name:
propan-2-yl 2,2-dichloroacetate
InChI:
InChI=1S/C5H8Cl2O2/c1-3(2)9-5(8)4(6)7/h3-4H,1-2H3
InChI Key:
JBTISLVNJCYZCH-UHFFFAOYSA-N
SMILES:
CC(OC(=O)C(Cl)Cl)C
EC Number:
246-561-7
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.99g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.017g/mol
Monoisotopic Mass:
169.99g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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