AG0071DE

42823-72-3 | 4-Amidinobenzoic acid hcl

AG0071DE

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CAS Number	42823-72-3
Catalog Number	AG0071DE(AGN-PC-0WA9WD)
Chemical Name	4-Amidinobenzoic acid hcl
IUPAC Name	4-carbamimidoylbenzoic acid;hydrochloride
InChI	InChI=1S/C8H8N2O2.ClH/c9-7(10)5-1-3-6(4-2-5)8(11)12;/h1-4H,(H3,9,10)(H,11,12);1H
InChI Key	LWZWTSNXTMLZNG-UHFFFAOYSA-N
MDL Number	MFCD00269643
Molecular Formula	C8H9ClN2O2
Molecular Weight	200.6223
SMILES	O=C(O)C1=CC=C(C(N)=N)C=C1.[H]Cl
Synonyms	4-carbamimidoylbenzoic acid hydrochloride, 42823-72-3, 4-Carboxybenzamidine hydrochloride, 4-Carboxybenzamidine HCl, 4-amidinobenzoic acid hydrochloride, AK139166, SCHEMBL394084, 4-carbamimidoyl-benzoic acid hcl, KS-00000KKY, LWZWTSNXTMLZNG-UHFFFAOYSA-N, p-Amidinobenzoic acid hydrochloride, MFCD00269643, AKOS022172529, AC-6747, CS-W005595, DS-6529, VZ35379, 4-Amidinobenzoic acid hydrochloride 97%, 4-carbamimidoylbenzoic acid;hydrochloride, 4-carbamimidoyl-benzoic acid hydrochloride, SC-41068, 4-ess>>u+/-(1/2)(1/4)xEaNIEaNI, AB0073102, AX8033668, DB-070352, FT-0692429, 4-carboxybenzamidine hydrochloride, AldrichCPR, A-2008, 4-Amidinobenzoic acid HCl, ACN-037916, Benzoicacid, 4-(aminoiminomethyl)-, hydrochloride (1:1),

Complexity	195
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.035g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	200.622g/mol
Monoisotopic Mass	200.035g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	87.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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