AG00EAD5

627526-56-1 | 2-(3-CYCLOPROPYLPHENYL)-4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLANE

AG00EAD5

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CAS Number	627526-56-1
Catalog Number	AG00EAD5(AGN-PC-03MNN6)
Chemical Name	2-(3-CYCLOPROPYLPHENYL)-4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLANE
IUPAC Name	2-(3-cyclopropylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI	InChI=1S/C15H21BO2/c1-14(2)15(3,4)18-16(17-14)13-7-5-6-12(10-13)11-8-9-11/h5-7,10-11H,8-9H2,1-4H3
InChI Key	VHNQNDFTCALSPV-UHFFFAOYSA-N
MDL Number	MFCD08061969
Molecular Formula	C15H21BO2
Molecular Weight	244.1370
SMILES	CC1(C)OB(OC1(C)C)c1cc(ccc1)C1CC1
Synonyms	627526-56-1, 2-(3-Cyclopropylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 2-(3-CYCLOPROPYLPHENYL)-4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLANE, 1,3,2-Dioxaborolane, 2-(3-cyclopropylphenyl)-4,4,5,5-tetramethyl-, SCHEMBL1821378, CTK5B5886, DTXSID20623715, VHNQNDFTCALSPV-UHFFFAOYSA-N, KS-00000MF0, ANW-57427, MFCD08061969, AKOS005259000, ZINC169968631, AB43369, RL04388, AK-87157, DS-18286, SC-35463, DB-073186, TC-146172, FT-0714990, ST24039312, J-505785, (3-CYCLOPROPYLPHENYL)BORONIC ACID PINACOL ESTER, 2-(3-Cyclopropylphenyl)-4,4,5,5-tetramethyl-[1,3,2, 2-(3-cyclopropyl-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane,

Complexity	307
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.163g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	244.141g/mol
Monoisotopic Mass	244.163g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	18.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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