Name: Name:3-{4-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]phenyl}benzoic acid
Brand: Angene
SKU: AG01EL1M
Rating: 90 (10 reviews)

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

CAS No.:

173911-21-2

Catalog Number:

AG01EL1M

Molecular Formula:

C29H23NO4

Molecular Weight:

449.4972

Catalog Number:

AG01EL1M

Chemical Name:

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

CAS Number:

173911-21-2

Molecular Formula:

C29H23NO4

Molecular Weight:

449.4972

MDL Number:

MFCD31667786

IUPAC Name:

3-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]benzoic acid

InChI:

InChI=1S/C29H23NO4/c31-28(32)22-7-5-6-21(16-22)20-14-12-19(13-15-20)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:

ISKYVDSKLGPEGI-UHFFFAOYSA-N

SMILES:

O=C(NCc1ccc(cc1)c1cccc(c1)C(=O)O)OCC1c2ccccc2c2c1cccc2

Complexity:

680

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

449.163g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

449.506g/mol

Monoisotopic Mass:

449.163g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.7