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85515-06-6 | Tryptophan, N-acetyl-6-bromo-
CAS No: 85515-06-6 Catalog No: AG004MR2 MDL No:
Product Description
Catalog Number:
AG004MR2
Chemical Name:
Tryptophan, N-acetyl-6-bromo-
CAS Number:
85515-06-6
Molecular Formula:
C13H13BrN2O3
Molecular Weight:
325.1579
IUPAC Name:
(2S)-2-acetamido-3-(6-bromo-1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C13H13BrN2O3/c1-7(17)16-12(13(18)19)4-8-6-15-11-5-9(14)2-3-10(8)11/h2-3,5-6,12,15H,4H2,1H3,(H,16,17)(H,18,19)/t12-/m0/s1
InChI Key:
IBKDCJLDCRKRFW-LBPRGKRZSA-N
SMILES:
CC(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1ccc(c2)Br
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
324.011g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
325.162g/mol
Monoisotopic Mass:
324.011g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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