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1273585-66-2 | Benzeneacetic acid, 4-chloro-α-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
CAS No: 1273585-66-2 Catalog No: AG000WY7 MDL No:MFCD24444872
Product Description
Catalog Number:
AG000WY7
Chemical Name:
Benzeneacetic acid, 4-chloro-α-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
CAS Number:
1273585-66-2
Molecular Formula:
C14H18ClNO4
Molecular Weight:
299.7500
MDL Number:
MFCD24444872
IUPAC Name:
methyl 2-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
InChI:
InChI=1S/C14H18ClNO4/c1-14(2,3)20-13(18)16-11(12(17)19-4)9-5-7-10(15)8-6-9/h5-8,11H,1-4H3,(H,16,18)
InChI Key:
HCZXBVJRVCEWCG-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccc(cc1)Cl)NC(=O)OC(C)(C)C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.092g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.751g/mol
Monoisotopic Mass:
299.092g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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