AG00DB4B

51760-22-6 | 5-BROMO-1,3-DIHYDROXYMETHYLBENZENE

AG00DB4B

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CAS Number	51760-22-6
Catalog Number	AG00DB4B(AGN-PC-0018SG)
Chemical Name	5-BROMO-1,3-DIHYDROXYMETHYLBENZENE
IUPAC Name	[3-bromo-5-(hydroxymethyl)phenyl]methanol
InChI	InChI=1S/C8H9BrO2/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3,10-11H,4-5H2
InChI Key	IZWWAHXLUWAJRC-UHFFFAOYSA-N
MDL Number	MFCD00229250
Molecular Formula	C8H9BrO2
Molecular Weight	217.0599
SMILES	OCC1=CC(CO)=CC(Br)=C1
Synonyms	(5-Bromo-1,3-phenylene)dimethanol, 51760-22-6, 5-Bromo-1,3-dihydroxymethylbenzene, 5-Bromo-3-(hydroxymethyl)benzyl alcohol, (3-bromo-5-hydroxymethyl-phenyl)-methanol, MFCD00229250, 1,3-Benzenedimethanol, 5-bromo-, SCHEMBL41893, 5-Bromobenzene-1,3-dimethanol, CTK4J4781, DTXSID60559625, IZWWAHXLUWAJRC-UHFFFAOYSA-N, CS-M2192, 7234AB, ANW-56896, ZINC14985599, bromo-3,5-bis(hydroxymethyl)-benzene, AKOS016002709, FCH1330963, AJ-66363, AK-99969, AS-10498, AX8102529, TC-145641, FT-0768207, ST24032059, W-2765, J-516781, C8H9BrO2, [3-bromo-5-(hydroxymethyl)phenyl]methanol,

Complexity	107
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.979g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	217.062g/mol
Monoisotopic Mass	215.979g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number