AG0077CZ

397843-67-3 | 4-(N-Isopropylaminocarbonyl)phenylboronic acid

AG0077CZ

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CAS Number	397843-67-3
Catalog Number	AG0077CZ(AGN-PC-0KKVGO)
Chemical Name	4-(N-Isopropylaminocarbonyl)phenylboronic acid
IUPAC Name	[4-(propan-2-ylcarbamoyl)phenyl]boronic acid
InChI	InChI=1S/C10H14BNO3/c1-7(2)12-10(13)8-3-5-9(6-4-8)11(14)15/h3-7,14-15H,1-2H3,(H,12,13)
InChI Key	GBCSEYKTZAKRMT-UHFFFAOYSA-N
MDL Number	MFCD04039353
Molecular Formula	C10H14BNO3
Molecular Weight	207.0341
SMILES	CC(C)NC(=O)C1=CC=C(C=C1)B(O)O
Synonyms	397843-67-3, (4-(Isopropylcarbamoyl)phenyl)boronic acid, 4-(N-Isopropylaminocarbonyl)phenylboronic acid, 4-(Isopropylcarbamoyl)benzeneboronic acid, 4-(isopropylcarbamoyl)phenylboronic acid, [4-(propan-2-ylcarbamoyl)phenyl]boronic Acid, {4-[(Propan-2-yl)carbamoyl]phenyl}boronic acid, MFCD04039353, [4-(N-Isopropylaminocarbonyl)phenyl]boronic acid, 4-(ISOPROPYLAMINOCARBONYL)PHENYLBORONIC ACID, Boronic acid, [4-[[(1-methylethyl)amino]carbonyl]phenyl]-, [4-(isopropylcarbamoyl)phenyl]boronic acid, PubChem6150, ACMC-1AIUW, AC1MCN0C, 4-(N-ISOPROPYLAMINOCARBONYL)PHENYLBORONICACID, SCHEMBL4267117, CTK4I1874, DTXSID50378483, ANW-29168, N-ISOPROPYL 4-BORONOBENZAMIDE, AKOS015838389, ZINC169745614, AB17353, AM86932, RTR-015882, AN-28488, AS-55288, BC001954, TR-015882, FT-0694248, ST24034579, TL80073574, X0774, B-3460, 4-[(N-Isopropyl)aminocarbonyl]phenylboronic Acid, 843I695, A824730, [4-[oxo-(propan-2-ylamino)methyl]phenyl]boronic acid, 4-(N-isopropylaminocarbonyl)phenylboronic acid, AldrichCPR, Boronic acid, B-[4-[[(1-methylethyl)amino]carbonyl]phenyl]-, Boronic acid,B-[4-[[(1-methylethyl)amino]carbonyl]phenyl]-, [4-[[(1-METHYLETHYL)AMINO]CARBONYL]PHENYL]-BORONIC ACID, 2-Isopropylphenylboronic acid, C10H14BNO3, ACN-042794, CID2773475, (4-(Isopropylcarbamoyl)phenyl)boronicacid, 397843-69-5, 89787-12-2,

Complexity	213
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	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number