AG00H1OV

874459-85-5 | 2-(Methylcarbamoyl)phenylboronic Acid

AG00H1OV

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CAS Number	874459-85-5
Catalog Number	AG00H1OV(AGN-PC-01MENO)
Chemical Name	2-(Methylcarbamoyl)phenylboronic Acid
IUPAC Name	[2-(methylcarbamoyl)phenyl]boronic acid
InChI	InChI=1S/C8H10BNO3/c1-10-8(11)6-4-2-3-5-7(6)9(12)13/h2-5,12-13H,1H3,(H,10,11)
InChI Key	AXWDCOSDMJAMOB-UHFFFAOYSA-N
MDL Number	MFCD22190724
Molecular Formula	C8H10BNO3
Molecular Weight	178.9809
SMILES	OB(C1=CC=CC=C1C(NC)=O)O
Synonyms	2-(Methylcarbamoyl)phenylboronic Acid, 874459-85-5, [2-(methylcarbamoyl)phenyl]boronic acid, MFCD22190724, 2-(methylcarbamoyl)benzeneboronic acid, Boronic acid, B-[2-[(methylamino)carbonyl]phenyl]-, SCHEMBL791333, KS-00000ASE, DTXSID10591171, 2-(Methylcarbamoyl)phenylboronicAcid, AKOS025293608, ZINC169744313, CS-11845, SY031368, 2-(Methylcarbamoyl)benzeneboronic acid, 97%, 2-(MethylcarbaMoyl)benzeneboronic acid, 98%, V8502, MFCD22190724 (97%), D-1803, C8H10BNO3, B-[2-[(methylamino)carbonyl]phenyl]Boronicacid,

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-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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