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1017789-39-7 | Benzenepropanoic acid, 4-chloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]-, phenylmethyl ester
CAS No: 1017789-39-7 Catalog No: AG0005K8 MDL No:
Product Description
Catalog Number:
AG0005K8
Chemical Name:
Benzenepropanoic acid, 4-chloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]-, phenylmethyl ester
CAS Number:
1017789-39-7
Molecular Formula:
C21H24ClNO4
Molecular Weight:
389.8726
IUPAC Name:
benzyl 3-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
InChI:
InChI=1S/C21H24ClNO4/c1-21(2,3)27-20(25)23-18(16-9-11-17(22)12-10-16)13-19(24)26-14-15-7-5-4-6-8-15/h4-12,18H,13-14H2,1-3H3,(H,23,25)
InChI Key:
PZRMZYBRURTRTJ-UHFFFAOYSA-N
SMILES:
O=C(CC(c1ccc(cc1)Cl)NC(=O)OC(C)(C)C)OCc1ccccc1
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.139g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
389.876g/mol
Monoisotopic Mass:
389.139g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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