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1241682-84-7 | D-Phenylalanine, 3-bromo-, 1,1-dimethylethyl ester
CAS No: 1241682-84-7 Catalog No: AG000LM2 MDL No:MFCD07368810
Product Description
Catalog Number:
AG000LM2
Chemical Name:
D-Phenylalanine, 3-bromo-, 1,1-dimethylethyl ester
CAS Number:
1241682-84-7
Molecular Formula:
C13H18BrNO2
Molecular Weight:
300.1915
MDL Number:
MFCD07368810
IUPAC Name:
tert-butyl (2R)-2-amino-3-(3-bromophenyl)propanoate
InChI:
InChI=1S/C13H18BrNO2/c1-13(2,3)17-12(16)11(15)8-9-5-4-6-10(14)7-9/h4-7,11H,8,15H2,1-3H3/t11-/m1/s1
InChI Key:
DHHDTWQVSPQQQZ-LLVKDONJSA-N
SMILES:
O=C([C@@H](Cc1cccc(c1)Br)N)OC(C)(C)C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
299.052g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.196g/mol
Monoisotopic Mass:
299.052g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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