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1217643-80-5 | Benzeneacetic acid, 3-chloro-α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αS)-
CAS No: 1217643-80-5 Catalog No: AG0015V0 MDL No:MFCD07371717
Product Description
Catalog Number:
AG0015V0
Chemical Name:
Benzeneacetic acid, 3-chloro-α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αS)-
CAS Number:
1217643-80-5
Molecular Formula:
C13H16ClNO4
Molecular Weight:
285.7234
MDL Number:
MFCD07371717
IUPAC Name:
(2S)-2-(3-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)8-5-4-6-9(14)7-8/h4-7,10H,1-3H3,(H,15,18)(H,16,17)/t10-/m0/s1
InChI Key:
BGMKFLAFNZFBBB-JTQLQIEISA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H](c1cccc(c1)Cl)C(=O)O
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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