AG006BHQ

913835-88-8 | Ethyl 3-borono-5-bromobenzoate

AG006BHQ

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CAS Number	913835-88-8
Catalog Number	AG006BHQ(AGN-PC-0VS7DQ)
Chemical Name	Ethyl 3-borono-5-bromobenzoate
IUPAC Name	(3-bromo-5-ethoxycarbonylphenyl)boronic acid
InChI	InChI=1S/C9H10BBrO4/c1-2-15-9(12)6-3-7(10(13)14)5-8(11)4-6/h3-5,13-14H,2H2,1H3
InChI Key	KNUQTRXBSGKILE-UHFFFAOYSA-N
MDL Number	MFCD08689516
Molecular Formula	C9H10BBrO4
Molecular Weight	272.8883
SMILES	CCOC(C1=CC(B(O)O)=CC(Br)=C1)=O
Synonyms	913835-88-8, (3-Bromo-5-(ethoxycarbonyl)phenyl)boronic acid, Ethyl 3-borono-5-bromobenzoate, 3-bromo-5-(ethoxycarbonyl)phenylboronic acid, 3-Bromo-5-(ethoxycarbonyl)benzeneboronic acid, [3-Bromo-5-(ethoxycarbonyl)phenyl]boronic acid, ACMC-209raa, C9H10BBrO4, CTK5G9460, DTXSID20657176, ZX-AT010124, ANW-39632, MFCD08689516, OR3440, AKOS015833654, ZINC169745759, RTR-028681, BC001511, AX8230841, ST2402319, TR-028681, FT-0687817, Z1084, B-4361, I01-10604, ACN-042591, 3-BROMO-5- BENZENEBORONICACID97, (3-Bromo-5-(ethoxycarbonyl)phenyl)boronicacid,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	271.986g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	272.889g/mol
Monoisotopic Mass	271.986g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	66.8A^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-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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