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CAS 40566-97-0

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CHEMISTRY

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Chemistry

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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 Formula	C₇H₁₀ClN₃O
Molecular Weight	187.63 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	81.1
Heavy Atom Count	12
Formal Charge	0
Complexity	141
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

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