AG003BKP

352534-80-6 | (2,4,5-Trimethylphenyl)boronic acid

AG003BKP

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CAS Number	352534-80-6
Catalog Number	AG003BKP(AGN-PC-0LMCMS)
Chemical Name	(2,4,5-Trimethylphenyl)boronic acid
IUPAC Name	(2,4,5-trimethylphenyl)boronic acid
InChI	InChI=1S/C9H13BO2/c1-6-4-8(3)9(10(11)12)5-7(6)2/h4-5,11-12H,1-3H3
InChI Key	NNQHKSYWLLYOHI-UHFFFAOYSA-N
MDL Number	MFCD03427049
Molecular Formula	C9H13BO2
Molecular Weight	164.0093
SMILES	CC1=CC(C)=C(C=C1C)B(O)O
Synonyms	(2,4,5-trimethylphenyl)boronic Acid, 352534-80-6, 2,4,5-Trimethylphenylboronic acid, BORONIC ACID, (2,4,5-TRIMETHYLPHENYL)-, ACMC-1CT1E, AC1NO86X, SCHEMBL1513409, CTK4H4080, KS-00000JBE, DTXSID70408155, NNQHKSYWLLYOHI-UHFFFAOYSA-N, 2,4,5-Trimethylbenzeneboronic acid, ANW-28139, MFCD03427049, 2,4,5 - Trimethylphenylboronic acid, AKOS010056774, ZINC169745536, AB15034, CS-W000917, DS-2188, MP-0009, RTR-014586, T5616G1, AK-59629, BP-20271, N992, Boronic acid,B-(2,4,5-trimethylphenyl)-, 4CH-009878, ST24026094, A822686, I04-8852, C9H13BO2, ACN-044159, CID5083930, 2,4,5-TRIMETHYLPHENYLBORONICACID, Boronic acid, (2,4,5-trimethylphenyl)- (9CI),

Complexity	150
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.101g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	164.011g/mol
Monoisotopic Mass	164.101g/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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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