1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

benzyl methanimidate;hydrochloride

2.1.2 InChI

InChI=1S/C8H9NO.ClH/c9-7-10-6-8-4-2-1-3-5-8;/h1-5,7,9H,6H2;1H

2.1.3 InChI Key

LSNKBVFMXFAUOF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)COC=N.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 60099-09-4

2. Benzyl-formimidate Hydrochloride

3. Benzylformimidatehydrochloride

4. Schembl4215555

5. Benzyl Methanimidate;hydrochloride

6. Akos015891589

7. Ft-0688513

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₀ClNO
Molecular Weight	171.62 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	171.0450916 g/mol
Monoisotopic Mass	171.0450916 g/mol
Topological Polar Surface Area	33.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	97.4
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	2

CAS 60099-09-4