AG004SI8

850568-09-1 | 4-Isopropoxy-3-methylphenylboronic acid

AG004SI8

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CAS Number	850568-09-1
Catalog Number	AG004SI8(AGN-PC-0UX3KH)
Chemical Name	4-Isopropoxy-3-methylphenylboronic acid
IUPAC Name	(3-methyl-4-propan-2-yloxyphenyl)boronic acid
InChI	InChI=1S/C10H15BO3/c1-7(2)14-10-5-4-9(11(12)13)6-8(10)3/h4-7,12-13H,1-3H3
InChI Key	XRGBZDZYYQVOJZ-UHFFFAOYSA-N
MDL Number	MFCD06659871
Molecular Formula	C10H15BO3
Molecular Weight	194.0353
SMILES	CC(C)OC1=C(C)C=C(C=C1)B(O)O
Synonyms	4-Isopropoxy-3-methylphenylboronic acid, 850568-09-1, 4-Isopropoxy-3-methylbenzeneboronic acid, (4-isopropoxy-3-methylphenyl)boronic acid, MFCD06659871, [3-METHYL-4-(PROPAN-2-YLOXY)PHENYL]BORONIC ACID, akos brn-0801, ACMC-209q19, SCHEMBL1890521, CTK5F3940, DTXSID30629642, XRGBZDZYYQVOJZ-UHFFFAOYSA-N, ANW-38011, CI-216, SBB071266, AKOS004113856, ZINC169745558, AB26517, RL05248, RTR-026474, VB10336, AK-46450, AN-27022, AS-55558, BC001221, (4-isopropoxy-3-methyl)benzeneboronic acid, (4-isopropoxy-3-methyl-phenyl)boronic acid, DB-028935, ST2405845, TR-026474, 4CH-018603, FT-0657048, V1925, 4-isopropoxy-3-methylbenzeneboronic acid 97%, 4-ISOPROPOXY-3-METHYLPHENYLBORONICACID, (3-methyl-4-propan-2-yloxyphenyl)boronic acid, B-5314, (3-methyl-4-propan-2-yloxy-phenyl)boronic acid, 568I091, A841107, {3-Methyl-4-[(propan-2-yl)oxy]phenyl}boronic acid, 4-Isopropoxy-3-methylphenylboronic acid, AldrichCPR, I04-0791, J-515593, Boronic acid,B-[3-methyl-4-(1-methylethoxy)phenyl]-, C10H15BO3,

Complexity	173
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.111g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	194.037g/mol
Monoisotopic Mass	194.111g/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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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