AG003N3W

1072951-85-9 | 6-Bromo-2-fluoro-3-propoxyphenylboronic acid

AG003N3W

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CAS Number	1072951-85-9
Catalog Number	AG003N3W(AGN-PC-0WABT6)
Chemical Name	6-Bromo-2-fluoro-3-propoxyphenylboronic acid
IUPAC Name	(6-bromo-2-fluoro-3-propoxyphenyl)boronic acid
InChI	InChI=1S/C9H11BBrFO3/c1-2-5-15-7-4-3-6(11)8(9(7)12)10(13)14/h3-4,13-14H,2,5H2,1H3
InChI Key	NRFJKFUWHJKBRV-UHFFFAOYSA-N
MDL Number	MFCD09038422
Molecular Formula	C9H11BBrFO3
Molecular Weight	276.8952
SMILES	c1(ccc(c(c1F)B(O)O)Br)OCCC
Synonyms	1072951-85-9, 6-Bromo-2-fluoro-3-propoxyphenylboronic acid, (6-Bromo-2-fluoro-3-propoxyphenyl)boronic acid, ACMC-2098ts, CTK4A5305, DTXSID60584816, ANW-15710, MFCD09038422, AKOS015835378, ZINC169748139, RTR-001644, BC001922, PC412045, AX8218150, TR-001644, ST24034912, Y3627, 6-Brom-2-fluor-3-propoxyphenylboronsäure, Q-7681, (6-Bromo-2-fluoro-3-propoxy-phenyl)boronic acid, I04-1806, C9H11BBrFO3,

Complexity	196
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	275.997g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	276.896g/mol
Monoisotopic Mass	275.997g/mol
Rotatable Bond Count	4
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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