AG000GVL

115787-50-3 | Benzaldehyde, 5-(2-bromoacetyl)-2-hydroxy-

AG000GVL

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CAS Number	115787-50-3
Catalog Number	AG000GVL(AGN-PC-0P8574)
Chemical Name	Benzaldehyde, 5-(2-bromoacetyl)-2-hydroxy-
IUPAC Name	5-(2-bromoacetyl)-2-hydroxybenzaldehyde
InChI	InChI=1S/C9H7BrO3/c10-4-9(13)6-1-2-8(12)7(3-6)5-11/h1-3,5,12H,4H2
InChI Key	LPSGRBXPXIPMPF-UHFFFAOYSA-N
MDL Number	MFCD09833486
Molecular Formula	C9H7BrO3
Molecular Weight	243.0541
SMILES	BrCC(=O)C=1C=CC(=C(C=O)C1)O
Synonyms	5-(2-Bromoacetyl)-2-hydroxybenzaldehyde, 115787-50-3, 5-BROMOACETYL-2-HYDROXYBENZALDEHYDE, AK-94419, Benzaldehyde,5-(2-bromoacetyl)-2-hydroxy-, 5-(2-bromoacetyl)-2-hydroxy-benzaldehyde, ACMC-1C6MV, KSC509I8H, SCHEMBL455393, 5-(Bromoacetyl)salicylaldehyde, CTK4A9483, DTXSID80449317, LPSGRBXPXIPMPF-UHFFFAOYSA-N, BCP17242, CS-M2582, KS-00000Q2S, ANW-52838, MFCD09833486, ZINC22009364, 5-(Bromoacetyl)-2-hydroxybenzaldehyde, AKOS015908588, FCH1393841, QC-7555, AC-30030, AJ-80396, AN-33071, BC200157, DS-17980, SC-83284, 5-(2-Bromo-acetyl)-2-hydroxy-benzaldehyde, AB0038544, AX8231744, TC-141583, 4CH-011826, Benzaldehyde, 5-(2-bromoacetyl)-2-hydroxy-, C3294, FT-0742890, ST24023718, Y5923, 787B503, I14-34244, C9H7BrO3, ACN-040119, CID10944618,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.958g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	243.056g/mol
Monoisotopic Mass	241.958g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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