AG004SIH

850567-33-8 | (3-((2-Methoxyethyl)carbamoyl)phenyl)boronic acid

AG004SIH

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CAS Number	850567-33-8
Catalog Number	AG004SIH(AGN-PC-0UX3IW)
Chemical Name	(3-((2-Methoxyethyl)carbamoyl)phenyl)boronic acid
IUPAC Name	[3-(2-methoxyethylcarbamoyl)phenyl]boronic acid
InChI	InChI=1S/C10H14BNO4/c1-16-6-5-12-10(13)8-3-2-4-9(7-8)11(14)15/h2-4,7,14-15H,5-6H2,1H3,(H,12,13)
InChI Key	QVHVUTWTDDOULZ-UHFFFAOYSA-N
MDL Number	MFCD04115710
Molecular Formula	C10H14BNO4
Molecular Weight	223.0335
SMILES	O=C(NCCOC)C1=CC(B(O)O)=CC=C1
Synonyms	850567-33-8, 3-(2-Methoxyethylcarbamoyl)phenylboronic acid, (3-((2-Methoxyethyl)carbamoyl)phenyl)boronic acid, 3-(2-Methoxyethylaminocarbonyl)benzeneboronic acid, {3-[(2-methoxyethyl)carbamoyl]phenyl}boronic acid, 3-(2-methoxyethylaminocarbonyl)phenylboronic acid, ACMC-209q0k, SCHEMBL955684, 3-(2-METHOXYETHYLAMINOCARBONYL)BENZENBORONIC ACID, CTK5F3920, DTXSID30657142, ANW-37986, MFCD04115710, 3-Borono-N-(2-methoxyethyl)benzamide, AKOS015852559, ZINC169745608, AB20446, RTR-026430, AS-55279, DB-010491, TR-026430, FT-0694255, X2367, B-4048, 3-[(2-methoxyethyl)carbamoyl]phenylboronic acid, I04-2694, Boronic acid, B-[3-[[(2-methoxyethyl)amino]carbonyl]phenyl]-, Boronic acid,B-[3-[[(2-methoxyethyl)amino]carbonyl]phenyl]-, 3- BENZENEBORONICACID, C10H14BNO4, ACN-042804, 3-(2-METHOXYETHYLCARBAMOYL)BENZENEBORONIC ACID,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.102g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	223.035g/mol
Monoisotopic Mass	223.102g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	78.8A^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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