Home Halogens 2-(4-bromophenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}acetic acid

2-(4-bromophenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}acetic acid

CAS No.:
337953-81-8
Catalog Number:
AG01EL8Q
Molecular Formula:
C23H18BrNO4
Molecular Weight:
452.2973
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Product Description
Catalog Number:
AG01EL8Q
Chemical Name:
2-(4-bromophenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}acetic acid
CAS Number:
337953-81-8
Molecular Formula:
C23H18BrNO4
Molecular Weight:
452.2973
MDL Number:
MFCD04115516
IUPAC Name:
2-(4-bromophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
InChI:
InChI=1S/C23H18BrNO4/c24-15-11-9-14(10-12-15)21(22(26)27)25-23(28)29-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20-21H,13H2,(H,25,28)(H,26,27)
InChI Key:
YZEMVMPFMBPCHY-UHFFFAOYSA-N
SMILES:
O=C(NC(c1ccc(cc1)Br)C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
569  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
451.042g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
452.304g/mol
Monoisotopic Mass:
451.042g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5  
Properties