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209525-73-5 | Benzeneacetic acid, 4-chloro-α-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS No: 209525-73-5 Catalog No: AG002KA5 MDL No:MFCD03426366
Product Description
Catalog Number:
AG002KA5
Chemical Name:
Benzeneacetic acid, 4-chloro-α-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS Number:
209525-73-5
Molecular Formula:
C13H16ClNO4
Molecular Weight:
285.7234
MDL Number:
MFCD03426366
IUPAC Name:
2-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
InChI:
InChI=1S/C13H16ClNO4/c1-13(2,3)19-12(18)15-10(11(16)17)8-4-6-9(14)7-5-8/h4-7,10H,1-3H3,(H,15,18)(H,16,17)
InChI Key:
ZZONJNNLTAGSHB-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccc(cc1)Cl)NC(=O)OC(C)(C)C
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.077g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.724g/mol
Monoisotopic Mass:
285.077g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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