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89520-11-6 | N-Bromoacetyl-β-alanine
CAS No: 89520-11-6 Catalog No: AG0040P2 MDL No:MFCD07369176
Product Description
Catalog Number:
AG0040P2
Chemical Name:
N-Bromoacetyl-β-alanine
CAS Number:
89520-11-6
Molecular Formula:
C5H8BrNO3
Molecular Weight:
210.0259
MDL Number:
MFCD07369176
IUPAC Name:
3-[(2-bromoacetyl)amino]propanoic acid
InChI:
InChI=1S/C5H8BrNO3/c6-3-4(8)7-2-1-5(9)10/h1-3H2,(H,7,8)(H,9,10)
InChI Key:
ULKDIPSSLZFIQU-UHFFFAOYSA-N
SMILES:
OC(=O)CCNC(=O)CBr
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.969g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.027g/mol
Monoisotopic Mass:
208.969g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| The immunogenicity of the tumor-associated antigen Lewis(y) may be suppressed by a bifunctional cross-linker required for coupling to a carrier protein. | Chemistry (Weinheim an der Bergstrasse, Germany) 20040719 |
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