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20301-57-9 | Acetamide, 2-chloro-N-(cyanomethyl)-
CAS No: 20301-57-9 Catalog No: AG0028N6 MDL No:MFCD00798455
Product Description
Catalog Number:
AG0028N6
Chemical Name:
Acetamide, 2-chloro-N-(cyanomethyl)-
CAS Number:
20301-57-9
Molecular Formula:
C4H5ClN2O
Molecular Weight:
132.5483
MDL Number:
MFCD00798455
IUPAC Name:
2-chloro-N-(cyanomethyl)acetamide
InChI:
InChI=1S/C4H5ClN2O/c5-3-4(8)7-2-1-6/h2-3H2,(H,7,8)
InChI Key:
BLGRCGIMBCJLMZ-UHFFFAOYSA-N
SMILES:
ClCC(=O)NCC#N
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.009g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
132.547g/mol
Monoisotopic Mass:
132.009g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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