AG0038RF

397843-69-5 | 3-(N-Isopropylaminocarbonyl)benzeneboronic acid

AG0038RF

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CAS Number	397843-69-5
Catalog Number	AG0038RF(AGN-PC-0L10YY)
Chemical Name	3-(N-Isopropylaminocarbonyl)benzeneboronic acid
IUPAC Name	[3-(propan-2-ylcarbamoyl)phenyl]boronic acid
InChI	InChI=1S/C10H14BNO3/c1-7(2)12-10(13)8-4-3-5-9(6-8)11(14)15/h3-7,14-15H,1-2H3,(H,12,13)
InChI Key	QDCRYXCSQKAWNM-UHFFFAOYSA-N
MDL Number	MFCD04115690
Molecular Formula	C10H14BNO3
Molecular Weight	207.0341
SMILES	CC(C)NC(=O)C1=CC=CC(=C1)B(O)O
Synonyms	397843-69-5, 3-(N-ISOPROPYLAMINOCARBONYL)BENZENEBORONIC ACID, 3-(N-Isopropylaminocarbonyl)phenylboronic acid, 3-(isopropylcarbamoyl)phenylboronic acid, 3-(Isopropylcarbamoyl)benzeneboronic acid, [3-(N-Isopropylaminocarbonyl)phenyl]boronic acid, [3-(propan-2-ylcarbamoyl)phenyl]boronic Acid, {3-[(propan-2-yl)carbamoyl]phenyl}boronic acid, (3-(Isopropylcarbamoyl)phenyl)boronic acid, [3-(isopropylcarbamoyl)phenyl]boronic acid, PubChem6147, AC1MYBG5, ACMC-209j7n, SCHEMBL177725, CTK4I1875, DTXSID50397371, QDCRYXCSQKAWNM-UHFFFAOYSA-N, ANW-29169, MFCD04115690, AKOS005256310, ZINC169745678, AB20404, PS-9640, RTR-015883, 3-(Isopropylcarbamoyl)benzeneboronic aci, 3-(isopropylcarbamoyl)phenyl boronic acid, AN-28489, TR-015883, FT-0749873, X0775, B-3665, 3-(N-isopropylaminocarbonyl)benzene boronic acid, 3-[(N-Isopropyl)aminocarbonyl]phenylboronic Acid, A824731, [3-[oxo-(propan-2-ylamino)methyl]phenyl]boronic acid, 3-(N-isopropylaminocarbonyl)phenylboronic acid, AldrichCPR, Boronic acid,B-[3-[[(1-methylethyl)amino]carbonyl]phenyl]-, [3- phenyl]boronicacid, C10H14BNO3, ACN-042793, CID3854098, Boronic acid, [3-[[(1-methylethyl)amino]carbonyl]phenyl]- (9CI),

Complexity	221
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.107g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	207.036g/mol
Monoisotopic Mass	207.107g/mol
Rotatable Bond Count	3
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	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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