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88606-59-1 | Butanoic acid, 2,3-dichloropropyl ester
CAS No: 88606-59-1 Catalog No: AG004AI2 MDL No:
Product Description
Catalog Number:
AG004AI2
Chemical Name:
Butanoic acid, 2,3-dichloropropyl ester
CAS Number:
88606-59-1
Molecular Formula:
C7H12Cl2O2
Molecular Weight:
199.0750
IUPAC Name:
2,3-dichloropropyl butanoate
InChI:
InChI=1S/C7H12Cl2O2/c1-2-3-7(10)11-5-6(9)4-8/h6H,2-5H2,1H3
InChI Key:
KKIRBVXTFOTIRJ-UHFFFAOYSA-N
SMILES:
CCCC(=O)OCC(CCl)Cl
Properties
Complexity:
117
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:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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