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168409-44-7 | Acetyl chloride, [(2-methyl-1-oxo-2-propenyl)amino]- (9CI)
CAS No: 168409-44-7 Catalog No: AG001Y25 MDL No:
Product Description
Catalog Number:
AG001Y25
Chemical Name:
Acetyl chloride, [(2-methyl-1-oxo-2-propenyl)amino]- (9CI)
CAS Number:
168409-44-7
Molecular Formula:
C6H8ClNO2
Molecular Weight:
161.5862
IUPAC Name:
2-(2-methylprop-2-enoylamino)acetyl chloride
InChI:
InChI=1S/C6H8ClNO2/c1-4(2)6(10)8-3-5(7)9/h1,3H2,2H3,(H,8,10)
InChI Key:
DLZJAVLWBLBIIF-UHFFFAOYSA-N
SMILES:
ClC(=O)CNC(=O)C(=C)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.024g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.585g/mol
Monoisotopic Mass:
161.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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