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101617-24-7 | Propanoic acid, 2-chloro-, 1,1-dimethylethyl ester, (S)- (9CI)
CAS No: 101617-24-7 Catalog No: AG0004ZF MDL No:
Product Description
Catalog Number:
AG0004ZF
Chemical Name:
Propanoic acid, 2-chloro-, 1,1-dimethylethyl ester, (S)- (9CI)
CAS Number:
101617-24-7
Molecular Formula:
C7H13ClO2
Molecular Weight:
164.6299
IUPAC Name:
tert-butyl 2-chloropropanoate
InChI:
InChI=1S/C7H13ClO2/c1-5(8)6(9)10-7(2,3)4/h5H,1-4H3
InChI Key:
YXYWJZNXZGYLNO-UHFFFAOYSA-N
SMILES:
O=C([C@@H](Cl)C)OC(C)(C)C
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.06g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.629g/mol
Monoisotopic Mass:
164.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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