AG001QDR

158627-59-9 | 4-Aminocatechol hbr

AG001QDR

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CAS Number	158627-59-9
Catalog Number	AG001QDR(AGN-PC-068B2G)
Chemical Name	4-Aminocatechol hbr
IUPAC Name	4-aminobenzene-1,2-diol;hydrobromide
InChI	InChI=1S/C6H7NO2.BrH/c7-4-1-2-5(8)6(9)3-4;/h1-3,8-9H,7H2;1H
InChI Key	CMAHPMGEFWJMCI-UHFFFAOYSA-N
MDL Number	MFCD08166278
Molecular Formula	C6H8BrNO2
Molecular Weight	206.0372
SMILES	OC1=CC=C(N)C=C1O.[H]Br
Synonyms	4-Aminobenzene-1,2-diol hydrobromide, 158627-59-9, 4-Aminocatechol HBr, 3,4-Dihydroxyaniline Hydrobromide, 4-AMINOCATECHOL HYDROBROMIDE, AK118715, 4-Aminobenzene-1,2-diol HBr, 3,4-DihydroxyanilineHydrobromide, SCHEMBL17786298, DTXSID10655085, KS-000009CY, MFCD08166278, AKOS015911016, CS-W022078, DS-2844, MP-0614, BC673428, SY025949, AX8094115, ST2418111, 4CH-000750, Z4226, 1,2-Benzenediol,4-amino-,hydrobromide(1:1), MFCD08166278 (95%), A50095, 4-Aminobenzene-1,2-diol--hydrogen bromide (1/1), I14-38932, C6H8BrNO2, 13047-04-6,

Complexity	97.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.974g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	206.039g/mol
Monoisotopic Mass	204.974g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	66.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number