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Also known as: 40566-97-0, 4-hydrazino-benzamide hcl, 4-hydrazinylbenzamide;hydrochloride, 4-hydrazino-benzamide hydrochloride, 4-hydrazinobenzamide hcl, Schembl980759
Molecular Formula
C7H10ClN3O
Molecular Weight
187.63  g/mol
InChI Key
FSBKBFIGWCHKLN-UHFFFAOYSA-N

CAS 40566-97-0
1 2D Structure

CAS 40566-97-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-hydrazinylbenzamide;hydrochloride
2.1.2 InChI
InChI=1S/C7H9N3O.ClH/c8-7(11)5-1-3-6(10-9)4-2-5;/h1-4,10H,9H2,(H2,8,11);1H
2.1.3 InChI Key
FSBKBFIGWCHKLN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1C(=O)N)NN.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 40566-97-0

2. 4-hydrazino-benzamide Hcl

3. 4-hydrazinylbenzamide;hydrochloride

4. 4-hydrazino-benzamide Hydrochloride

5. 4-hydrazinobenzamide Hcl

6. Schembl980759

7. 4-hydrazinylbenzamidehydrochloride

8. Dtxsid70623381

9. Act09689

10. Mfcd20261430

11. As-30011

12. Cs-0209694

13. 4-hydrazinylbenzamide--hydrogen Chloride (1/1)

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 187.63 g/mol
Molecular Formula C7H10ClN3O
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area81.1
Heavy Atom Count12
Formal Charge0
Complexity141
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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