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71501-36-5 | 2-Propanone,1-(chloroamino)-
CAS No: 71501-36-5 Catalog No: AG005HOQ MDL No:
Product Description
Catalog Number:
AG005HOQ
Chemical Name:
2-Propanone,1-(chloroamino)-
CAS Number:
71501-36-5
Molecular Formula:
C3H6ClNO
Molecular Weight:
107.5388
IUPAC Name:
1-(chloroamino)propan-2-one
InChI:
InChI=1S/C3H6ClNO/c1-3(6)2-5-4/h5H,2H2,1H3
InChI Key:
ZKOVFYBOFORKOK-UHFFFAOYSA-N
SMILES:
CC(=O)CNCl
EC Number:
275-564-6
Properties
Complexity:
54.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
107.014g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
107.537g/mol
Monoisotopic Mass:
107.014g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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