AG00C0CJ

352534-87-3 | 5-CHLORO-2-ISOPROPOXYPHENYLBORONIC ACID

AG00C0CJ

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CAS Number	352534-87-3
Catalog Number	AG00C0CJ(AGN-PC-00UQ7E)
Chemical Name	5-CHLORO-2-ISOPROPOXYPHENYLBORONIC ACID
IUPAC Name	(5-chloro-2-propan-2-yloxyphenyl)boronic acid
InChI	InChI=1S/C9H12BClO3/c1-6(2)14-9-4-3-7(11)5-8(9)10(12)13/h3-6,12-13H,1-2H3
InChI Key	FGRYIHCKXSSLGB-UHFFFAOYSA-N
MDL Number	MFCD06411283
Molecular Formula	C9H12BClO3
Molecular Weight	214.4538
SMILES	CC(OC1=CC=C(Cl)C=C1B(O)O)C
Synonyms	352534-87-3, 5-Chloro-2-isopropoxyphenylboronic acid, (5-Chloro-2-isopropoxyphenyl)boronic acid, 5-CHLORO-2-ISOPROPOXYPHENYLBORONICACID, ACMC-1BNAL, SCHEMBL12537758, CTK4H4086, DTXSID80584232, ANW-28145, CI-587, MFCD06411283, AKOS004114075, ZINC169747501, AB25187, ACN-046537, FCH1326851, RTR-014591, 2-Isopropoxy 5-chlorophenylboronic acid, ACM352534873, OR360410, AX8231129, ST2402449, TR-049457, 4CH-004018, X0736, (5-chloro-2-propan-2-yloxyphenyl)boronic acid, B-5156, {5-Chloro-2-[(propan-2-yl)oxy]phenyl}boronic acid, I04-2553, [5-CHLORO-2-(PROPAN-2-YLOXY)PHENYL]BORONIC ACID, Boronic acid,[5-chloro-2-(1-methylethoxy)phenyl]- (9CI), C9H12BClO3, (5-Chloro-2-isopropoxyphenyl)boronicacid, 4-amino-N-(5-chloro-2-methylphenyl)benzamide,

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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