AG0015RO

1217501-00-2 | Boronic acid, B-[4-(1-cyanocyclopropyl)phenyl]-

AG0015RO

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CAS Number	1217501-00-2
Catalog Number	AG0015RO(AGN-PC-0WA8ZY)
Chemical Name	Boronic acid, B-[4-(1-cyanocyclopropyl)phenyl]-
IUPAC Name	[4-(1-cyanocyclopropyl)phenyl]boronic acid
InChI	InChI=1S/C10H10BNO2/c12-7-10(5-6-10)8-1-3-9(4-2-8)11(13)14/h1-4,13-14H,5-6H2
InChI Key	NOICYZKSQYFZPX-UHFFFAOYSA-N
MDL Number	MFCD12546546
Molecular Formula	C10H10BNO2
Molecular Weight	187.0029
SMILES	N#CC1(C2=CC=C(B(O)O)C=C2)CC1
Synonyms	1217501-00-2, (4-(1-Cyanocyclopropyl)phenyl)boronic acid, 4-(1-CYANOCYCLOPROPYL)PHENYLBORONIC ACID, AK-84976, [4-(1-cyanocyclopropyl)phenyl]boronic acid, ACMC-209agb, SCHEMBL2553159, CTK4B2670, DTXSID30675225, ANW-17817, FCH923707, MFCD12546546, AKOS006344057, ZINC169747401, CS-W005535, DS-17584, OR361008, AX8261394, ST2402371, TR-034690, X1672, A-5544, Boronic acid, B-[4-(1-cyanocyclopropyl)phenyl]-, I04-1842, 1-(4-boronophenyl)cyclopropanecarbonitrile, AldrichCPR, C10H10BNO2,

Complexity	259
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.08g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	187.005g/mol
Monoisotopic Mass	187.08g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	64.2A^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	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number