AG00H8L4

957034-33-2 | 4-(3-Bromopropoxy)phenylboronic acid

AG00H8L4

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CAS Number	957034-33-2
Catalog Number	AG00H8L4(AGN-PC-0WA95S)
Chemical Name	4-(3-Bromopropoxy)phenylboronic acid
IUPAC Name	[4-(3-bromopropoxy)phenyl]boronic acid
InChI	InChI=1S/C9H12BBrO3/c11-6-1-7-14-9-4-2-8(3-5-9)10(12)13/h2-5,12-13H,1,6-7H2
InChI Key	BKESUWDVKSJULT-UHFFFAOYSA-N
MDL Number	MFCD09258751
Molecular Formula	C9H12BBrO3
Molecular Weight	258.9048
SMILES	BrCCCOC1=CC=C(C=C1)B(O)O
Synonyms	957034-33-2, (4-(3-Bromopropoxy)phenyl)boronic acid, 4-(3-Bromopropoxy)phenylboronic acid, [4-(3-bromopropoxy)phenyl]boronic acid, ACMC-209rzy, SCHEMBL2217182, CTK5H7958, DTXSID60657377, BKESUWDVKSJULT-UHFFFAOYSA-N, ZX-AT012146, ANW-40556, MFCD09258751, OR7501, 4-(3-Bromopropoxy)benzeneboronic acid, 4-(3-bromopropoxyl)phenylboronic acid, AKOS015836218, ZINC169746547, RTR-029832, AX8231037, TR-029832, ST24020477, V9640, B-4374, Boronic acid, B-[4-(3-bromopropoxy)phenyl]-, I04-1834, 4- phenylboronicacid, C9H12BBrO3, (4-(3-Bromopropoxy)phenyl)boronicacid,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258.006g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	258.906g/mol
Monoisotopic Mass	258.006g/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	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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