AG001DA8

1456821-61-6 | Benzaldehyde, 4-bromo-2,5-dihydroxy-

AG001DA8

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CAS Number	1456821-61-6
Catalog Number	AG001DA8(AGN-PC-0WAA1Y)
Chemical Name	Benzaldehyde, 4-bromo-2,5-dihydroxy-
IUPAC Name	4-bromo-2,5-dihydroxybenzaldehyde
InChI	InChI=1S/C7H5BrO3/c8-5-2-6(10)4(3-9)1-7(5)11/h1-3,10-11H
InChI Key	GGGKQVNDFXTJCS-UHFFFAOYSA-N
MDL Number	MFCD26383909
Molecular Formula	C7H5BrO3
Molecular Weight	217.0168
SMILES	O=CC1=CC(O)=C(Br)C=C1O
Synonyms	4-Bromo-2,5-dihydroxybenzaldehyde, 1456821-61-6, MFCD26383909, SCHEMBL18927374, 6106AJ, ZINC96024990, AKOS024258106, Benzaldehyde, 4-bromo-2,5-dihydroxy-, FCH2427245, AS-32563, DA-00018, SY025983, 4-Bromo-2,5-dihydroxybenzaldehyde, AldrichCPR, Z-3611, MFCD26383909 (97+%), C7H5BrO3,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.942g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	217.018g/mol
Monoisotopic Mass	215.942g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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