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198545-76-5 | D-Phenylalanine, 4-bromo-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS No: 198545-76-5 Catalog No: AG002BLV MDL No:MFCD00273459
Product Description
Catalog Number:
AG002BLV
Chemical Name:
D-Phenylalanine, 4-bromo-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS Number:
198545-76-5
Molecular Formula:
C24H20BrNO4
Molecular Weight:
466.3239
MDL Number:
MFCD00273459
IUPAC Name:
(2R)-3-(4-bromophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C24H20BrNO4/c25-16-11-9-15(10-12-16)13-22(23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m1/s1
InChI Key:
TVBAVBWXRDHONF-JOCHJYFZSA-N
SMILES:
O=C(N[C@@H](C(=O)O)Cc1ccc(cc1)Br)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
584
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
465.058g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
466.331g/mol
Monoisotopic Mass:
465.058g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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