AG00D9RG

480438-56-0 | 3-Chloro-4-isopropoxyphenylboronic acid

AG00D9RG

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CAS Number	480438-56-0
Catalog Number	AG00D9RG(AGN-PC-0KTG4M)
Chemical Name	3-Chloro-4-isopropoxyphenylboronic acid
IUPAC Name	(3-chloro-4-propan-2-yloxyphenyl)boronic acid
InChI	InChI=1S/C9H12BClO3/c1-6(2)14-9-4-3-7(10(12)13)5-8(9)11/h3-6,12-13H,1-2H3
InChI Key	PJBWTULFEPFOEB-UHFFFAOYSA-N
MDL Number	MFCD04974065
Molecular Formula	C9H12BClO3
Molecular Weight	214.4538
SMILES	c1(c(ccc(c1)B(O)O)OC(C)C)Cl
Synonyms	3-Chloro-4-isopropoxyphenylboronic acid, 480438-56-0, [3-CHLORO-4-(PROPAN-2-YLOXY)PHENYL]BORONIC ACID, Boronic acid, B-[3-chloro-4-(1-methylethoxy)phenyl]-, (3-chloro-4-isopropoxyphenyl)boronic acid, 3-Chloro-4-(1-methylethyl)oxyphenylboronic acid, PubChem23776, ACMC-1AQXP, AC1MPB8B, KSC234S1P, SCHEMBL101400, CTK1D4917, DTXSID40391969, PJBWTULFEPFOEB-UHFFFAOYSA-N, ACT11019, KS-000010IY, ANW-30613, MFCD04974065, AKOS004114074, ZINC169747416, AB21457, FCH1323674, FS-4488, RTR-017632, 3-Chloro-4-isopropoxybenzeneboronic acid, 3-chloro-4-isopropoxyphenyl-boronic acid, ACM480438560, AK-40424, BC001982, BR-40424, OR360141, SC-70271, (3-Chloro-4-isopropoxy-phenyl)boronic acid, AB0029136, AX8161543, DB-010564, ST2405020, TR-017632, 4CH-017886, FT-0699340, X1268, (3-chloro-4-propan-2-yloxyphenyl)boronic acid, S-2324, I04-2518, {3-chloro-4-[(1-methylethyl)oxy]phenyl}boronic acid, [3-CHLORO-4-(1-METHYLETHOXY)PHENYL]-BORONIC ACID, BORONIC ACID, [3-CHLORO-4-(1-METHYLETHOXY)PHENYL]-, C9H12BClO3, cc-652, ACN-032629, CID3382467, 3-CHLORO-4-ISOPROPOXYPHENYLBORONICACID, (3-chloro-4-propan-2-yloxy-phenyl)boronic Acid, Boronic acid, [3-chloro-4-(1-methylethoxy)phenyl]- (9CI),

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.057g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	214.452g/mol
Monoisotopic Mass	214.057g/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
UN Code

Certificate of Analysis

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