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77215-58-8 | L-Alanine,3-[(bromoacetyl)amino]-, monohydrobromide (9CI)
CAS No: 77215-58-8 Catalog No: AG005540 MDL No:
Product Description
Catalog Number:
AG005540
Chemical Name:
L-Alanine,3-[(bromoacetyl)amino]-, monohydrobromide (9CI)
CAS Number:
77215-58-8
Molecular Formula:
C5H9BrN2O3
Molecular Weight:
225.0406
IUPAC Name:
2-amino-3-[(2-bromoacetyl)amino]propanoic acid
InChI:
InChI=1S/C5H9BrN2O3/c6-1-4(9)8-2-3(7)5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)
InChI Key:
TXNAFLOXAUKSGT-UHFFFAOYSA-N
SMILES:
NC(C(=O)O)CNC(=O)CBr
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.98g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
225.042g/mol
Monoisotopic Mass:
223.98g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.3
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