AG008C1P

875446-29-0 | (4-FLUORO-5-ISOPROPYL-2-METHOXYPHENYL)BORONIC ACID

AG008C1P

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CAS Number	875446-29-0
Catalog Number	AG008C1P(AGN-PC-09RE4E)
Chemical Name	(4-FLUORO-5-ISOPROPYL-2-METHOXYPHENYL)BORONIC ACID
IUPAC Name	(4-fluoro-2-methoxy-5-propan-2-ylphenyl)boronic acid
InChI	InChI=1S/C10H14BFO3/c1-6(2)7-4-8(11(13)14)10(15-3)5-9(7)12/h4-6,13-14H,1-3H3
InChI Key	HMRRCUXJGOSJJA-UHFFFAOYSA-N
MDL Number	MFCD16294183
Molecular Formula	C10H14BFO3
Molecular Weight	212.0258
SMILES	COC1=C(C=C(C(C)C)C(F)=C1)B(O)O
Synonyms	875446-29-0, 4-fluoro-5-isopropyl-2-methoxyphenylboronic acid, (4-Fluoro-5-isopropyl-2-methoxyphenyl)boronic acid, [4-fluoro-2-methoxy-5-(propan-2-yl)phenyl]boronic acid, 4-fluoro-5-isopropyl-2-methoxyphenylboronicacid, Boronic acid, [4-fluoro-2-methoxy-5-(1-methylethyl)phenyl]-, Boronic acid, B-[4-fluoro-2-methoxy-5-(1-methylethyl)phenyl]-, SCHEMBL135122, AMBA00082, CTK8C0960, KS-00001ERF, DTXSID90693642, HMRRCUXJGOSJJA-UHFFFAOYSA-N, BCP12755, CS-M3091, ANW-65544, CF-565, MFCD16294183, AKOS016005659, ZINC169747616, ACN-036345, AM85940, GS-6333, LS11043, PC52031, QC-1207, RP26642, AC-27373, AK102633, SC-52843, AB0030989, AX8234172, DB-077004, TX-018071, 4CH-001245, FT-0742332, ST24034697, X3301, (4-Fluoro-5-isopropyl-2-Methoxyphenyl)boronic ac, J-515388, Boronicacid,B-[4-fluoro-2-methoxy-5-(1-methylethyl)phenyl]-, C10H14BFO3, CB11861,

Complexity	201
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.102g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	212.027g/mol
Monoisotopic Mass	212.102g/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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