AG000OYZ

1259318-83-6 | Boronic acid, B-(3-bromo-2,5-dimethylphenyl)-

AG000OYZ

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CAS Number	1259318-83-6
Catalog Number	AG000OYZ(AGN-PC-078TDU)
Chemical Name	Boronic acid, B-(3-bromo-2,5-dimethylphenyl)-
IUPAC Name	(3-bromo-2,5-dimethylphenyl)boronic acid
InChI	InChI=1S/C8H10BBrO2/c1-5-3-7(9(11)12)6(2)8(10)4-5/h3-4,11-12H,1-2H3
InChI Key	URNNEMQNWANJJC-UHFFFAOYSA-N
MDL Number	MFCD12026703
Molecular Formula	C8H10BBrO2
Molecular Weight	228.8788
SMILES	CC1=CC(B(O)O)=C(C)C(Br)=C1
Synonyms	(3-Bromo-2,5-dimethylphenyl)boronic acid, 1259318-83-6, 3-Bromo-2,5-Dimethylphenylboronic acid, 2,5-Dimethyl-3-bromophenylboronic acid, CTK6B4241, KS-00000QAV, DTXSID50659380, 4916AA, ANW-65231, MFCD12026703, AKOS015842380, ZINC169901938, DS-3989, FCH1409432, RL01261, AK102970, AX8234509, DB-028373, TR-057572, FT-0709422, Z-2711, Boronic acid, B-(3-bromo-2,5-dimethylphenyl)-, I04-0724, J-511835, C8H10BBrO2, (3-Bromo-2,5-dimethylphenyl)boronicacid,

Complexity	154
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.996g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	228.88g/mol
Monoisotopic Mass	227.996g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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