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5875-25-2 | 2-Bromopropanamide
CAS No: 5875-25-2 Catalog No: AG003GSU MDL No:MFCD00012376
Product Description
Catalog Number:
AG003GSU
Chemical Name:
2-Bromopropanamide
CAS Number:
5875-25-2
Molecular Formula:
C3H6BrNO
Molecular Weight:
151.9898
MDL Number:
MFCD00012376
IUPAC Name:
2-bromopropanamide
InChI:
InChI=1S/C3H6BrNO/c1-2(4)3(5)6/h2H,1H3,(H2,5,6)
InChI Key:
AUHYZQCEIVEMFH-UHFFFAOYSA-N
SMILES:
CC(C(=O)N)Br
NSC Number:
402153
Properties
Complexity:
63.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.963g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.991g/mol
Monoisotopic Mass:
150.963g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Experimental reactivity parameters for toxicity modeling: application to the acute aquatic toxicity of SN2 electrophiles to Tetrahymena pyriformis. | Chemical research in toxicology 20100101 |
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