AG0037WW

399-00-8 | 5-Bromo-4-fluoro-2-hydroxybenzaldehyde

AG0037WW

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CAS Number	399-00-8
Catalog Number	AG0037WW(AGN-PC-0LX8WK)
Chemical Name	5-Bromo-4-fluoro-2-hydroxybenzaldehyde
IUPAC Name	5-bromo-4-fluoro-2-hydroxybenzaldehyde
InChI	InChI=1S/C7H4BrFO2/c8-5-1-4(3-10)7(11)2-6(5)9/h1-3,11H
InChI Key	QKTZGVUIYFBODQ-UHFFFAOYSA-N
MDL Number	MFCD06739493
Molecular Formula	C7H4BrFO2
Molecular Weight	219.0079
SMILES	O=CC1=CC(Br)=C(F)C=C1O
Synonyms	5-bromo-4-fluoro-2-hydroxybenzaldehyde, 399-00-8, 5-BROMO-4-FLUORO-2-HYDROXY-BENZALDEHYDE, AK-94406, Benzaldehyde, 5-bromo-4-fluoro-2-hydroxy-, 4-fluoro-5-bromo-2-hydroxybenzaldehyde, AC1OGPFA, PubChem17025, KSC496E0J, SCHEMBL874654, CTK3J6204, DTXSID30428278, QKTZGVUIYFBODQ-UHFFFAOYSA-N, ACT03508, KS-000010DG, ZINC4290820, 5262AB, ACM399008, ANW-54292, CL8370, MFCD06739493, AKOS015996674, AM84054, FCH1382099, AJ-50353, BC004188, BP-11735, CJ-11902, DS-17977, PC430579, AB0064077, AX8160623, DB-011419, RT-002900, CS-0042065, FT-0081568, FT-0651182, ST24029400, X-3673, 5-Bromo-4-fluoro-2-hydroxybenzaldehyde, AldrichCPR, C7H4BrFO2, ZINC04290820, CID7172128,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.938g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	219.009g/mol
Monoisotopic Mass	217.938g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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

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