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16461-71-5 | Benzeneacetyl chloride, α-azido-
CAS No: 16461-71-5 Catalog No: AG001UYY MDL No:
Product Description
Catalog Number:
AG001UYY
Chemical Name:
Benzeneacetyl chloride, α-azido-
CAS Number:
16461-71-5
Molecular Formula:
C8H6ClN3O
Molecular Weight:
195.6057
IUPAC Name:
2-azido-2-phenylacetyl chloride
InChI:
InChI=1S/C8H6ClN3O/c9-8(13)7(11-12-10)6-4-2-1-3-5-6/h1-5,7H
InChI Key:
NRSMVAFUFMOXFI-UHFFFAOYSA-N
SMILES:
ClC(=O)C(c1ccccc1)N=[N+]=[N-]
EC Number:
240-509-7
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.606g/mol
Monoisotopic Mass:
195.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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