AG006YOG

4785-52-8 | Benzoic acid, 5-bromo-2-formyl-

AG006YOG

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CAS Number	4785-52-8
Catalog Number	AG006YOG(AGN-PC-0JTN1J)
Chemical Name	Benzoic acid, 5-bromo-2-formyl-
IUPAC Name	5-bromo-2-formylbenzoic acid
InChI	InChI=1S/C8H5BrO3/c9-6-2-1-5(4-10)7(3-6)8(11)12/h1-4H,(H,11,12)
InChI Key	WAMUJTFUQTUCJQ-UHFFFAOYSA-N
MDL Number	MFCD06739600
Molecular Formula	C8H5BrO3
Molecular Weight	229.0275
SMILES	O=Cc1ccc(cc1C(=O)O)Br
Synonyms	5-Bromo-2-formylbenzoic acid, 4785-52-8, Benzoic acid, 5-bromo-2-formyl-, 5-Bromo-2-formyl-benzoic acid, WAMUJTFUQTUCJQ-UHFFFAOYSA-N, 5-Bromophthaldehydic acid, AC1LCOH2, 2-Formyl-5-bromobenzoic acid, 4-bromo-2-carboxybenzaldehyde, SCHEMBL392309, 5-Bromo-2-formylbenzoic acid #, CTK1D1456, DTXSID40345341, 4- bromo -2- carboxybenzaldehyde, ZINC4299110, MFCD06739600, AKOS005209316, AS-43826, DA-42353, 5-bromo-2-formyl-benzoic acid, AldrichCPR, FT-0743425, F1967-1690, Z1741966460, CID603860,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.942g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	229.029g/mol
Monoisotopic Mass	227.942g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number