AG00BYF8

342002-80-6 | 3-(Isopropoxycarbonyl)phenylboronic acid

AG00BYF8

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CAS Number	342002-80-6
Catalog Number	AG00BYF8(AGN-PC-0R9LDD)
Chemical Name	3-(Isopropoxycarbonyl)phenylboronic acid
EC Number	608-956-6
IUPAC Name	(3-propan-2-yloxycarbonylphenyl)boronic acid
InChI	InChI=1S/C10H13BO4/c1-7(2)15-10(12)8-4-3-5-9(6-8)11(13)14/h3-7,13-14H,1-2H3
InChI Key	HXVODQWMURGQMP-UHFFFAOYSA-N
MDL Number	MFCD02093047
Molecular Formula	C10H13BO4
Molecular Weight	208.0188
SMILES	c1(cccc(c1)B(O)O)C(=O)OC(C)C
Synonyms	342002-80-6, 3-(isopropoxycarbonyl)phenylboronic acid, (3-(Isopropoxycarbonyl)phenyl)boronic acid, 3-Isopropoxycarbonylphenylboronic acid, 3-(isopropoxycarbonyl)benzeneboronic acid, ISOPROPYL 3-BORONOBENZOATE, Propan-2-Yl 3-(Dihydroxyboranyl)Benzoate, MFCD02093047, 3-(isopropylcarbonyl)phenylboronic acid, m-(isopropoxycarbonyl)phenylboronic acid, AC1MC0YR, AC1Q1QHF, (3-propan-2-yloxycarbonylphenyl)boronic Acid, ACMC-209i5n, SCHEMBL177280, CTK4H1903, DTXSID80370253, HXVODQWMURGQMP-UHFFFAOYSA-N, ZX-AT002642, ANW-27801, CI-165, SBB065884, 3-Isopropoxycarbonylbenzeneboronic acid, AKOS015838554, ZINC169745526, AB10724, AM86879, OR14155, PS-9551, RTR-014198, 3-(iso-Propoxycarbonyl)phenylboronic acid, ACM342002806, BC001187, CC-12682, AX8080715, DB-010602, TR-014198, FT-0615111, I1000, X0726, B-8130, Benzoicacid, 3-borono-, 1-(1-methylethyl) ester, C-10510, 3-(isopropoxycarbonyl)phenylboronic acid, AldrichCPR, I04-0717, I04-2057, 3-(Isopropoxycarbonyl)phenylboronic Acid (contains varying amounts of Anhydride), C10H13BO4, ACN-042791, CID2734363, (3-(Isopropoxycarbonyl)phenyl)boronicacid, 3-(ISOPROPOXYCARBONYL)PHENYLBORONICACID,

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.091g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	208.02g/mol
Monoisotopic Mass	208.091g/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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