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20485-53-4 | 2-Propanone, 1-chloro-3-diazo-
CAS No: 20485-53-4 Catalog No: AG0029Q9 MDL No:
Product Description
Catalog Number:
AG0029Q9
Chemical Name:
2-Propanone, 1-chloro-3-diazo-
CAS Number:
20485-53-4
Molecular Formula:
C3H3ClN2O
Molecular Weight:
118.5217
IUPAC Name:
1-chloro-3-diazopropan-2-one
InChI:
InChI=1S/C3H3ClN2O/c4-1-3(7)2-6-5/h2H,1H2
InChI Key:
QQRZDPCAMOLWBA-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=CC(=O)CCl
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.993g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
118.52g/mol
Monoisotopic Mass:
117.993g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
19.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.6
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