Home Halogens 2-(3-{[(tert-butoxy)carbonyl]amino}-2-chlorophenyl)acetic acid

2-(3-{[(tert-butoxy)carbonyl]amino}-2-chlorophenyl)acetic acid

CAS No.:
672309-92-1
Catalog Number:
AG01C3QC
Molecular Formula:
C13H16ClNO4
Molecular Weight:
285.7234
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Product Description
Catalog Number:
AG01C3QC
Chemical Name:
2-(3-{[(tert-butoxy)carbonyl]amino}-2-chlorophenyl)acetic acid
CAS Number:
672309-92-1
Molecular Formula:
C13H16ClNO4
Molecular Weight:
285.7234
MDL Number:
MFCD08461758
IUPAC Name:
2-[2-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
InChI:
InChI=1S/C13H16ClNO4/c1-13(2,3)19-12(18)15-9-6-4-5-8(11(9)14)7-10(16)17/h4-6H,7H2,1-3H3,(H,15,18)(H,16,17)
InChI Key:
BDBHSJANXHFBRC-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1Cl)CC(=O)O)OC(C)(C)C
Properties
Complexity:
340  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties