2-Azidoacetyl Chloride

Synopsis, Chemistry

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Also known as: 30426-58-5, Azidoacetyl chloride, Azidoacetylchloride, N3ch2cocl, Schembl18699270, Dtxsid60447932

Molecular Formula

C₂H₂ClN₃O

Molecular Weight

119.51 g/mol

InChI Key

SUHXTVABLHHRST-UHFFFAOYSA-N

1 2D Structure

2-Azidoacetyl Chloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-azidoacetyl chloride

2.1.2 InChI

InChI=1S/C2H2ClN3O/c3-2(7)1-5-6-4/h1H2

2.1.3 InChI Key

SUHXTVABLHHRST-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(C(=O)Cl)N=[N+]=[N-]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 30426-58-5

2. Azidoacetyl Chloride

3. Azidoacetylchloride

4. N3ch2cocl

5. Schembl18699270

6. Dtxsid60447932

7. Zinc137051571

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₂H₂ClN₃O
Molecular Weight	119.51 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	118.9886394 g/mol
Monoisotopic Mass	118.9886394 g/mol
Topological Polar Surface Area	31.4 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	116
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1