AG00H844

957060-74-1 | 4-(Neopentyloxysulfonyl)phenylboronic acid

AG00H844

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CAS Number	957060-74-1
Catalog Number	AG00H844(AGN-PC-0W5CB8)
Chemical Name	4-(Neopentyloxysulfonyl)phenylboronic acid
IUPAC Name	[4-(2,2-dimethylpropoxysulfonyl)phenyl]boronic acid
InChI	InChI=1S/C11H17BO5S/c1-11(2,3)8-17-18(15,16)10-6-4-9(5-7-10)12(13)14/h4-7,13-14H,8H2,1-3H3
InChI Key	HDSWCPUGAFITCT-UHFFFAOYSA-N
MDL Number	MFCD09027229
Molecular Formula	C11H17BO5S
Molecular Weight	272.1257
SMILES	O=S(C1=CC=C(B(O)O)C=C1)(OCC(C)(C)C)=O
Synonyms	957060-74-1, (4-((Neopentyloxy)sulfonyl)phenyl)boronic acid, 4-(Neopentyloxysulfonyl)phenylboronic acid, AK-95250, ACMC-209s11, CTK5H7993, DTXSID60657074, KS-00000QR2, ZX-AT018709, ANW-40595, MFCD09027229, OR3262, AKOS015837699, ZINC169745348, RTR-029880, 4-(Neopentyloxysulphonyl)benzeneboronic acid, AX8239977, TR-029880, V9684, B-4936, 4-(2,2-dimethylpropoxysulfonyl)phenylboronic acid, I04-1952, 4-[(2,2-Dimethylpropoxy)sulphonyl]benzeneboronic acid, {4-[(2,2-Dimethylpropoxy)sulfonyl]phenyl}boronic acid, C11H17BO5S, (4-((Neopentyloxy)sulfonyl)phenyl)boronicacid, [4-(2,2-dimethylpropoxysulfonyl)phenyl]boronic acid,

Complexity	347
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	272.089g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	272.122g/mol
Monoisotopic Mass	272.089g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	92.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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