AG00HZL3

172732-52-4 | Benzonitrile, 2-(1,3,2-dioxaborinan-2-yl)-

AG00HZL3

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CAS Number	172732-52-4
Catalog Number	AG00HZL3(AGN-PC-0KVYFO)
Chemical Name	Benzonitrile, 2-(1,3,2-dioxaborinan-2-yl)-
IUPAC Name	2-(1,3,2-dioxaborinan-2-yl)benzonitrile
InChI	InChI=1S/C10H10BNO2/c12-8-9-4-1-2-5-10(9)11-13-6-3-7-14-11/h1-2,4-5H,3,6-7H2
InChI Key	REQZFVYFYAZUMG-UHFFFAOYSA-N
MDL Number	MFCD04039012
Molecular Formula	C10H10BNO2
Molecular Weight	187.0029
SMILES	N#CC1=CC=CC=C1B2OCCCO2
Synonyms	2-(1,3,2-dioxaborinan-2-yl)benzonitrile, 172732-52-4, 2-Cyanophenylboronic acid 1,3-propanediol ester, Benzonitrile, 2-(1,3,2-dioxaborinan-2-yl)-, MFCD04039012, 2-CYANOBENZENEBORONIC ACID 1,3-PROPANEDIOL ESTER, AK-94581, 2-CYANOPHENYLBORONIC ACID, 1,3-PROPANEDIOL CYCLIC ESTER, 2-Cyanophenylboronic acid propanediol ester, 2-(1,3,2-Dioxaborinane-2-yl)benzonitrile, 2-Cyanophenylboronic acid 13-propanediol cyclic ester, AC1MS6UB, 2-(1,3,2-dioxaborinan-2-yl)-benzonitrile, SCHEMBL687490, CTK8B3683, KS-00000PWQ, DTXSID80393361, REQZFVYFYAZUMG-UHFFFAOYSA-N, BCP11356, ZX-AT002753, ANW-42940, OR7188, AKOS004116216, ZINC169747838, AB17250, AS06274, CS-W000883, FCH1118493, RTR-007613, 2-(2-Cyanophenyl)-1,3,2-dioxaborinane, ACM172732524, AS-18695, BC001099, SY051086, AB0028484, AX8228175, TR-007613, 4CH-001163, FT-0688804, ST24039032, X0572, Benzonitrile,2-(1,3,2-dioxaborinan-2-yl)-, MFCD04039012 (97%), 2-Cyanophenylboronic acid1,3-propanediol ester, B-3538, 2-CYANOPHENYLBORONIC ACID,1,3-PROPANEDIOL, I04-5861, J-010845, 2-Cyanophenylboronic acid 1,3-propanediol ester, 96%, 2-Cyanobenzeneboronic acid propane-1,3-diol cyclic ester, 2-CYANOBENZENEBORONIC ACID, PROPANE-1,3-DIOL ESTER, 2-CYANOPHENYLBORONIC ACID PROPANEDIOL-1,3 CYCLIC ESTER, (2-CYANOPHENYL)BORONIC ACID, 1,3-PROPANEDIOL CYCLIC ESTER, C10H10BNO2, 2-(1,3,2-Dioxaborolan-2-yl)benzonitrile, ACN-044082, CID3529602, C2993,

Complexity	232
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	0
Isotope Atom Count	0
Molecular Weight	187.005g/mol
Monoisotopic Mass	187.08g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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