3-Hydroxybenzamidine hydrochloride

CAT: 0926-FH67821-01Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-FH67821-01Size:10 g

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CAS Number

63502-89-6

MDL Number

MFCD09954378

Smiles

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

Molecular Formula

C7H8N2O·ClH

Molecular Weight

172.61 g/mol

Controlled

Chemical Information

3-Hydroxybenzene-1-carboximidamide hydrochloride

CAS Number	63502-89-6
PubChem CID	17788747
IUPAC Name	3-hydroxybenzenecarboximidamide;hydrochloride
Molecular Formula	C7H9ClN2O
Molecular Weight	172.61
Topological Polar Surface Area	70.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	136

SMILES

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

InChI

InChI=1S/C7H8N2O.ClH/c8-7(9)5-2-1-3-6(10)4-5;/h1-4,10H,(H3,8,9);1H

InChIKey

WAGGXXBNIACBLQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 63502-89-6

CID: 17788747

Formula: C7H9ClN2O

MW: 172.61

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.61
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	172.0403406
Monoisotopic Mass	172.0403406
Topological Polar Surface Area	70.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	136
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
Compound Is Canonicalized	Yes

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