AG004TUS

832695-88-2 | 3-(N-METHYLAMINOCARBONYL)PHENYLBORONIC ACID

AG004TUS

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CAS Number	832695-88-2
Catalog Number	AG004TUS(AGN-PC-0KKVHY)
Chemical Name	3-(N-METHYLAMINOCARBONYL)PHENYLBORONIC ACID
IUPAC Name	[3-(methylcarbamoyl)phenyl]boronic acid
InChI	InChI=1S/C8H10BNO3/c1-10-8(11)6-3-2-4-7(5-6)9(12)13/h2-5,12-13H,1H3,(H,10,11)
InChI Key	FYFFPNFUVMBPRZ-UHFFFAOYSA-N
MDL Number	MFCD04038918
Molecular Formula	C8H10BNO3
Molecular Weight	178.9809
SMILES	CNC(=O)c1cccc(c1)B(O)O
Synonyms	832695-88-2, 3-(N-Methylaminocarbonyl)phenylboronic acid, (3-(Methylcarbamoyl)phenyl)boronic acid, 3-(methylcarbamoyl)phenylboronic acid, 3-(Methylcarbamoyl)benzeneboronic acid, [3-(methylcarbamoyl)phenyl]boronic Acid, 3-(N-Methylaminocarbonyl)benzeneboronic acid, MFCD04038918, 3-(METHYLAMINOCARBONYL)PHENYLBORONIC ACID, Boronic acid, [3-[(methylamino)carbonyl]phenyl]-, ACMC-209prq, AC1MCN2U, 3-Borono-N-methylbenzamide, KSC496E8L, SCHEMBL190230, CTK3J6285, KS-00000KRK, DTXSID90378523, FYFFPNFUVMBPRZ-UHFFFAOYSA-N, ANW-37668, EBD215353, 3-(methyl-carbamoyl)phenylboronic acid, AKOS005256306, ZINC169745147, 3-methylaminocarbonylbenzeneboronic acid, AB17210, CM-2253, CS-W000977, LS10846, RP03128, RTR-025940, 3-(N-methylcarbamoyl)phenylboronic acid, AK-36496, AM804383, AS-17586, BC000855, BR-36496, SC-47306, (3-methylamino carbonylphenyl)boronic acid, 3-[(methylamino)carbonyl]phenylboronic acid, AB0020083, DB-003906, ST2402311, TL8007154, TR-025940, 3-(N-methylaminocarbamoyl)phenylboronic acid, 3-(N-methylaminocarbonyl)phenyl boronic acid, 4CH-017871, FT-0646588, V0832, {3-[(methylamino)carbonyl]phenyl}boronic acid, B-3927, I04-2625, J-501085, 3-(N-Methylaminocarbonyl)benzeneboronic acid, AldrichCPR, C8H10BNO3, 3-(Methylcarbamoyl)benzeneboronicacid, ACN-032728, CID2773524, 3-(Piperidin-4-yl)-1,3-oxazinan-2-one,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.075g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	178.982g/mol
Monoisotopic Mass	179.075g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	69.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number