Home Carbonyls 4-[(2-{[(tert-butoxy)carbonyl]amino}phenyl)carbamoyl]benzoic acid

4-[(2-{[(tert-butoxy)carbonyl]amino}phenyl)carbamoyl]benzoic acid

CAS No.:
209785-17-1
Catalog Number:
AG01EKZ7
Molecular Formula:
C19H20N2O5
Molecular Weight:
356.3725
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Product Description
Catalog Number:
AG01EKZ7
Chemical Name:
4-[(2-{[(tert-butoxy)carbonyl]amino}phenyl)carbamoyl]benzoic acid
CAS Number:
209785-17-1
Molecular Formula:
C19H20N2O5
Molecular Weight:
356.3725
MDL Number:
MFCD31665092
IUPAC Name:
4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid
InChI:
InChI=1S/C19H20N2O5/c1-19(2,3)26-18(25)21-15-7-5-4-6-14(15)20-16(22)12-8-10-13(11-9-12)17(23)24/h4-11H,1-3H3,(H,20,22)(H,21,25)(H,23,24)
InChI Key:
ZOVZLNNQYBZRMB-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccccc1NC(=O)c1ccc(cc1)C(=O)O
Properties
Complexity:
521  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.137g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
356.378g/mol
Monoisotopic Mass:
356.137g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties