Home Halogens 2-(4-chloro-3-fluorophenyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)acetic acid

2-(4-chloro-3-fluorophenyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)acetic acid

CAS No.:
1690540-00-1
Catalog Number:
AG01EKBR
Molecular Formula:
C23H17ClFNO4
Molecular Weight:
425.8368
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Product Description
Catalog Number:
AG01EKBR
Chemical Name:
2-(4-chloro-3-fluorophenyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)acetic acid
CAS Number:
1690540-00-1
Molecular Formula:
C23H17ClFNO4
Molecular Weight:
425.8368
MDL Number:
MFCD31559672
IUPAC Name:
2-(4-chloro-3-fluorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
InChI:
InChI=1S/C23H17ClFNO4/c24-19-10-9-13(11-20(19)25)21(22(27)28)26-23(29)30-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-11,18,21H,12H2,(H,26,29)(H,27,28)
InChI Key:
UBPGEBHZBLJGCD-UHFFFAOYSA-N
SMILES:
O=C(NC(c1ccc(c(c1)F)Cl)C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
612  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.083g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
425.84g/mol
Monoisotopic Mass:
425.083g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  
Properties