AG00EKP6

586389-90-4 | (2-Fluoro-4-isopropoxyphenyl)boronic acid

AG00EKP6

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CAS Number	586389-90-4
Catalog Number	AG00EKP6(AGN-PC-0BS6NN)
Chemical Name	(2-Fluoro-4-isopropoxyphenyl)boronic acid
IUPAC Name	(2-fluoro-4-propan-2-yloxyphenyl)boronic acid
InChI	InChI=1S/C9H12BFO3/c1-6(2)14-7-3-4-8(10(12)13)9(11)5-7/h3-6,12-13H,1-2H3
InChI Key	UFYDUWGUTFJYHC-UHFFFAOYSA-N
MDL Number	MFCD17011998
Molecular Formula	C9H12BFO3
Molecular Weight	197.9992
SMILES	CC(OC1=CC=C(B(O)O)C(F)=C1)C
Synonyms	(2-Fluoro-4-isopropoxyphenyl)boronic acid, 586389-90-4, 2-fluoro-4-isopropoxyphenylboronic acid, [2-fluoro-4-(propan-2-yloxy)phenyl]boronic acid, CTK8B5499, DTXSID90720962, UFYDUWGUTFJYHC-UHFFFAOYSA-N, KS-00000P4F, ANW-48956, MFCD17011998, AKOS014316474, ZINC169745914, AK-61870, BC001542, BR-61870, DS-14886, AB0025674, TC-137701, 4CH-010873, FT-0698641, ST24020215, W7171, S-3778, {2-Fluoro-4-[(propan-2-yl)oxy]phenyl}boronic acid, BORONIC ACID, B-[2-FLUORO-4-(1-METHYLETHOXY)PHENYL]-, C9H12BFO3, ACN-034242, (2-Fluoro-4-isopropoxyphenyl)boronicacid, 2-Fluoro-4-isopropoxyphenyl)boronic acid,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.086g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	198g/mol
Monoisotopic Mass	198.086g/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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