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Also known as: 60099-09-4, Benzyl-formimidate hydrochloride, Benzylformimidatehydrochloride, Schembl4215555, Benzyl methanimidate;hydrochloride, Akos015891589
Molecular Formula
C8H10ClNO
Molecular Weight
171.62  g/mol
InChI Key
LSNKBVFMXFAUOF-UHFFFAOYSA-N

CAS 60099-09-4
1 2D Structure

CAS 60099-09-4

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 Weight 171.62 g/mol
Molecular Formula C8H10ClNO
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass171.0450916 g/mol
Monoisotopic Mass171.0450916 g/mol
Topological Polar Surface Area33.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity97.4
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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