AG000O07

1256345-58-0 | Boronic acid, B-(3-butoxy-2-chlorophenyl)-

AG000O07

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CAS Number	1256345-58-0
Catalog Number	AG000O07(AGN-PC-0WA8CT)
Chemical Name	Boronic acid, B-(3-butoxy-2-chlorophenyl)-
IUPAC Name	(3-butoxy-2-chlorophenyl)boronic acid
InChI	InChI=1S/C10H14BClO3/c1-2-3-7-15-9-6-4-5-8(10(9)12)11(13)14/h4-6,13-14H,2-3,7H2,1H3
InChI Key	UYJMMBBEXLZVST-UHFFFAOYSA-N
MDL Number	MFCD17015727
Molecular Formula	C10H14BClO3
Molecular Weight	228.4804
SMILES	ClC1=C(OCCCC)C=CC=C1B(O)O
Synonyms	3-BUTOXY-2-CHLOROPHENYLBORONIC ACID, 1256345-58-0, (3-Butoxy-2-chlorophenyl)boronic acid, ACMC-209avc, CTK4B4478, DTXSID60681531, ANW-18358, MFCD17015727, AKOS015839723, ZINC169933855, OR360825, TR-035136, X1808, Boronic acid, B-(3-butoxy-2-chlorophenyl)-, B-2527, I04-2258, C10H14BClO3,

Complexity	180
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.072g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	228.479g/mol
Monoisotopic Mass	228.072g/mol
Rotatable Bond Count	5
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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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