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88606-66-0 | Propanoic acid, 2-methyl-, 2-chloro-1-(chloromethyl)ethyl ester
CAS No: 88606-66-0 Catalog No: AG004ATB MDL No:
Product Description
Catalog Number:
AG004ATB
Chemical Name:
Propanoic acid, 2-methyl-, 2-chloro-1-(chloromethyl)ethyl ester
CAS Number:
88606-66-0
Molecular Formula:
C7H12Cl2O2
Molecular Weight:
199.0750
IUPAC Name:
1,3-dichloropropan-2-yl 2-methylpropanoate
InChI:
InChI=1S/C7H12Cl2O2/c1-5(2)7(10)11-6(3-8)4-9/h5-6H,3-4H2,1-2H3
InChI Key:
BGLKIYNFGQGMQN-UHFFFAOYSA-N
SMILES:
ClCC(OC(=O)C(C)C)CCl
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.021g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.071g/mol
Monoisotopic Mass:
198.021g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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