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13162-04-4 | Carbonochloridic acid, 1-cyano-1-methylethyl ester
CAS No: 13162-04-4 Catalog No: AG000ZI8 MDL No:
Product Description
Catalog Number:
AG000ZI8
Chemical Name:
Carbonochloridic acid, 1-cyano-1-methylethyl ester
CAS Number:
13162-04-4
Molecular Formula:
C5H6ClNO2
Molecular Weight:
147.5596
IUPAC Name:
2-cyanopropan-2-yl carbonochloridate
InChI:
InChI=1S/C5H6ClNO2/c1-5(2,3-7)9-4(6)8/h1-2H3
InChI Key:
XCAFUVXBLCWDMX-UHFFFAOYSA-N
SMILES:
N#CC(OC(=O)Cl)(C)C
Properties
Complexity:
167
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:
3
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:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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