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

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

CAS No.:
1215034-62-0
Catalog Number:
AG01EKU8
Molecular Formula:
C19H21NO4
Molecular Weight:
327.3743
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Product Description
Catalog Number:
AG01EKU8
Chemical Name:
4-[2-({[(tert-butoxy)carbonyl]amino}methyl)phenyl]benzoic acid
CAS Number:
1215034-62-0
Molecular Formula:
C19H21NO4
Molecular Weight:
327.3743
MDL Number:
MFCD31667780
IUPAC Name:
4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]benzoic acid
InChI:
InChI=1S/C19H21NO4/c1-19(2,3)24-18(23)20-12-15-6-4-5-7-16(15)13-8-10-14(11-9-13)17(21)22/h4-11H,12H2,1-3H3,(H,20,23)(H,21,22)
InChI Key:
MLILKIVMLLNPTC-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1ccccc1c1ccc(cc1)C(=O)O
Properties
Complexity:
435  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.147g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
327.38g/mol
Monoisotopic Mass:
327.147g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties