AG00I4W5

256383-45-6 | Boronic acid,B-(4-nonylphenyl)-

AG00I4W5

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CAS Number	256383-45-6
Catalog Number	AG00I4W5(AGN-PC-0R1FXJ)
Chemical Name	Boronic acid,B-(4-nonylphenyl)-
IUPAC Name	(4-nonylphenyl)boronic acid
InChI	InChI=1S/C15H25BO2/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18/h10-13,17-18H,2-9H2,1H3
InChI Key	VONVJOGSLHAKOX-UHFFFAOYSA-N
MDL Number	MFCD02093070
Molecular Formula	C15H25BO2
Molecular Weight	248.1688
SMILES	OB(C1=CC=C(CCCCCCCCC)C=C1)O
Synonyms	256383-45-6, 4-N-Nonylphenylboronic acid, 4-Nonylphenylboronic acid, 4-N-NONYLBENZENEBORONIC ACID, (4-nonylphenyl)boronic Acid, 4-N-Nonylphenylboronicacid, VONVJOGSLHAKOX-UHFFFAOYSA-N, MFCD02093070, AC1NEAO1, (4-nonylphenyl)boranediol, 4-nonylbenzene boronic acid, B-(4-Nonylphenyl)boronic acid, CHEMBL485946, SCHEMBL3405525, 4-(n-Nonyl)benzeneboronic Acid, 1-Borono-4-(non-1-yl)benzene, BDBM26134, CTK8B1318, DTXSID10404611, 4-(Non-1-yl)benzeneboronic acid, Boronic acid,B-(4-nonylphenyl)-, ZX-AT001529, ANW-25775, CN-219, OR7244, AKOS004116472, ZINC169747018, RTR-011670, VB10704, ACM256383456, AN-29324, R695, AX8099617, DB-016079, ST2405909, TR-011670, FT-0619309, 383N456, I04-10281, Phenylboronic Acid, 13, D0F1UD, C15H25BO2, CID4589192, A-9025,

Complexity	189
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	248.195g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	248.173g/mol
Monoisotopic Mass	248.195g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	40.5A^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-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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