AG00GSYU

913835-73-1 | 3-BROMO-5-CARBOXYBENZENEBORONIC ACID 97

AG00GSYU

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CAS Number	913835-73-1
Catalog Number	AG00GSYU(AGN-PC-009RC2)
Chemical Name	3-BROMO-5-CARBOXYBENZENEBORONIC ACID 97
IUPAC Name	3-borono-5-bromobenzoic acid
InChI	InChI=1S/C7H6BBrO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,12-13H,(H,10,11)
InChI Key	CWBLIPMCDMSOFX-UHFFFAOYSA-N
MDL Number	MFCD08689487
Molecular Formula	C7H6BBrO4
Molecular Weight	244.8351
SMILES	O=C(O)C1=CC(Br)=CC(B(O)O)=C1
Synonyms	913835-73-1, 3-Borono-5-bromobenzoic acid, 3-Bromo-5-carboxyphenylboronic acid, 3-Bromo-5-carboxybenzeneboronic acid, 3-bromo-5-(dihydroxyboranyl)benzoic acid, 3-borono-5-bromo-benzoic Acid, Benzoicacid, 3-borono-5-bromo-, ACMC-209r9y, CTK3I6389, DTXSID10466951, ZX-AT010096, ANW-39620, MFCD08689487, OR3302, AKOS015834289, ZINC169743960, AB48251, FCH1327140, RTR-028666, 3-(Dihydroxyboryl)-5-bromobenzoic acid, AK-62110, BC001783, BP-10620, AX8217961, ST2404914, TR-028666, 4CH-026738, FT-0687824, Z1081, 5-Bromo-3-carboxyphenylboronic acid, >=95%, 3-BROMO-5-(DIHYDROXYBORYL)BENZOIC ACID, A-3925, 3-BROMO-5-CARBOXYBENZENEBORONIC ACID 97, I04-1780, C7H6BBrO4, 3-Borono-5-bromobenzoicacid, ACN-043230, CID11470601,

Complexity	199
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.954g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	244.835g/mol
Monoisotopic Mass	243.954g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	77.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
UN Code

Certificate of Analysis

Lot Number