AG003MI8

849062-02-8 | 5-Bromo-3-ethoxyphenylboronic acid

AG003MI8

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CAS Number	849062-02-8
Catalog Number	AG003MI8(AGN-PC-0UV8BU)
Chemical Name	5-Bromo-3-ethoxyphenylboronic acid
IUPAC Name	(3-bromo-5-ethoxyphenyl)boronic acid
InChI	InChI=1S/C8H10BBrO3/c1-2-13-8-4-6(9(11)12)3-7(10)5-8/h3-5,11-12H,2H2,1H3
InChI Key	FCUBWEOZVDXVHL-UHFFFAOYSA-N
MDL Number	MFCD07369739
Molecular Formula	C8H10BBrO3
Molecular Weight	244.8782
SMILES	CCOC1=CC(Br)=CC(B(O)O)=C1
Synonyms	5-Bromo-3-ethoxyphenylboronic acid, 849062-02-8, (3-Bromo-5-ethoxyphenyl)boronic acid, ACMC-209pxu, CTK5F3451, DTXSID40584637, ANW-37888, MFCD07369739, AKOS015834268, ZINC169748118, AB32198, AM87236, FCH1323692, RTR-026293, BC001539, BP-11418, OR360274, 3-BROMO-5-ETHOXYPHENYLBORONIC ACID, AX8218115, Boronic acid,B-(3-bromo-5-ethoxyphenyl)-, TR-049431, ST24034323, X2319, A-4636, I04-1790, C8H10BBrO3, 4-Amino-N-(1-phenylethyl)benzamide,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.991g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	244.879g/mol
Monoisotopic Mass	243.991g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	49.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number