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1258595-00-4 | Benzenepropanoic acid, 4-chloro-3-[[(1,1-dimethylethoxy)carbonyl]amino]-, ethyl ester
CAS No: 1258595-00-4 Catalog No: AG000OU4 MDL No:
Product Description
Catalog Number:
AG000OU4
Chemical Name:
Benzenepropanoic acid, 4-chloro-3-[[(1,1-dimethylethoxy)carbonyl]amino]-, ethyl ester
CAS Number:
1258595-00-4
Molecular Formula:
C16H22ClNO4
Molecular Weight:
327.8032
IUPAC Name:
tert-butyl 2-chloro-5-(3-ethoxy-3-oxopropyl)benzoate
InChI:
InChI=1S/C16H21ClO4/c1-5-20-14(18)9-7-11-6-8-13(17)12(10-11)15(19)21-16(2,3)4/h6,8,10H,5,7,9H2,1-4H3
InChI Key:
MLSCASHSXLOSST-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCc1ccc(c(c1)NC(=O)OC(C)(C)C)Cl
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.113g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.79g/mol
Monoisotopic Mass:
312.113g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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