AG008GTI

850568-33-1 | 4-(Diisopropylcarbamoyl)phenylboronic acid

AG008GTI

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CAS Number	850568-33-1
Catalog Number	AG008GTI(AGN-PC-0UX3L2)
Chemical Name	4-(Diisopropylcarbamoyl)phenylboronic acid
IUPAC Name	[4-[di(propan-2-yl)carbamoyl]phenyl]boronic acid
InChI	InChI=1S/C13H20BNO3/c1-9(2)15(10(3)4)13(16)11-5-7-12(8-6-11)14(17)18/h5-10,17-18H,1-4H3
InChI Key	OUULWFOPBSMMAD-UHFFFAOYSA-N
MDL Number	MFCD06659884
Molecular Formula	C13H20BNO3
Molecular Weight	249.1138
SMILES	O=C(C1=CC=C(B(O)O)C=C1)N(C(C)C)C(C)C
Synonyms	850568-33-1, 4-(Diisopropylcarbamoyl)phenylboronic acid, (4-(Diisopropylcarbamoyl)phenyl)boronic acid, 4-(N,N-DIISOPROPYLAMINOCARBONYL)PHENYLBORONIC ACID, ACMC-209q1t, SCHEMBL1742643, CTK5F3960, DTXSID10657206, ZX-AT008293, ANW-38031, MFCD06659884, OR4075, AKOS015838400, ZINC169745613, AB26549, RTR-026495, TR-026495, ST24034564, X2419, B-5576, {4-[Di(propan-2-yl)carbamoyl]phenyl}boronic acid, 4-(N,N-Diisopropylaminocarbonyl)benzeneboronic acid, I04-2049, Boronic acid,B-[4-[[bis(1-methylethyl)amino]carbonyl]phenyl]-, C13H20BNO3, ACN-042692, 4-(DIISOPROPYLCARBAMOYL)BENZENEBORONIC ACID,

Complexity	265
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.154g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	249.117g/mol
Monoisotopic Mass	249.154g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	60.8A^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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