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25088-54-4 | Propanoyl isocyanate, 3-chloro-2-methyl-
CAS No: 25088-54-4 Catalog No: AG002QFW MDL No:
Product Description
Catalog Number:
AG002QFW
Chemical Name:
Propanoyl isocyanate, 3-chloro-2-methyl-
CAS Number:
25088-54-4
Molecular Formula:
C5H6ClNO2
Molecular Weight:
147.5596
IUPAC Name:
3-chloro-2-methylpropanoyl isocyanate
InChI:
InChI=1S/C5H6ClNO2/c1-4(2-6)5(9)7-3-8/h4H,2H2,1H3
InChI Key:
NOOWUUGMUCRQEQ-UHFFFAOYSA-N
SMILES:
CC(C(=O)N=C=O)CCl
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.009g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.558g/mol
Monoisotopic Mass:
147.009g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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