Home Carbonyls 4-{3-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]phenyl}benzoic acid

4-{3-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]phenyl}benzoic acid

CAS No.:
173911-23-4
Catalog Number:
AG01EKZ8
Molecular Formula:
C29H23NO4
Molecular Weight:
449.4972
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Product Description
Catalog Number:
AG01EKZ8
Chemical Name:
4-{3-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]phenyl}benzoic acid
CAS Number:
173911-23-4
Molecular Formula:
C29H23NO4
Molecular Weight:
449.4972
MDL Number:
MFCD31666632
IUPAC Name:
4-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]benzoic acid
InChI:
InChI=1S/C29H23NO4/c31-28(32)21-14-12-20(13-15-21)22-7-5-6-19(16-22)17-30-29(33)34-18-27-25-10-3-1-8-23(25)24-9-2-4-11-26(24)27/h1-16,27H,17-18H2,(H,30,33)(H,31,32)
InChI Key:
YHZREAPISCKDPV-UHFFFAOYSA-N
SMILES:
O=C(NCc1cccc(c1)c1ccc(cc1)C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
680  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
449.163g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
449.506g/mol
Monoisotopic Mass:
449.163g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7  
Properties