AG00G2L5

762262-07-7 | 4-(Cyclohexylaminocarbonyl)phenylboronic acid

AG00G2L5

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CAS Number	762262-07-7
Catalog Number	AG00G2L5(AGN-PC-0KKVDK)
Chemical Name	4-(Cyclohexylaminocarbonyl)phenylboronic acid
IUPAC Name	[4-(cyclohexylcarbamoyl)phenyl]boronic acid
InChI	InChI=1S/C13H18BNO3/c16-13(15-12-4-2-1-3-5-12)10-6-8-11(9-7-10)14(17)18/h6-9,12,17-18H,1-5H2,(H,15,16)
InChI Key	OBTMUEHMFSJFFR-UHFFFAOYSA-N
MDL Number	MFCD03411956
Molecular Formula	C13H18BNO3
Molecular Weight	247.0979
SMILES	OB(O)C1=CC=C(C=C1)C(=O)NC1CCCCC1
Synonyms	762262-07-7, (4-(Cyclohexylcarbamoyl)phenyl)boronic acid, 4-(CYCLOHEXYLAMINOCARBONYL)PHENYLBORONIC ACID, 4-Cyclohexylaminocarbonylphenylboronic acid, 4-(cyclohexylcarbamoyl)phenylboronic acid, [4-(cyclohexylcarbamoyl)phenyl]boronic Acid, 4-(CYCLOHEXYLCARBAMOYL)BENZENEBORONIC ACID, 4-(Cyclohexylaminocarbonyl)benzeneboronic acid, ACMC-20airg, AC1MCMTU, 4-(Cyclohexylaminocarbonyl)phenylboronicacid, AMTB365, SCHEMBL531915, DTXSID90378402, OBTMUEHMFSJFFR-UHFFFAOYSA-N, AC1Q7151, ANW-75242, MFCD03411956, N-CYCLOHEXYL 4-BORONOBENZAMIDE, AKOS015949580, ZINC169745540, AB14331, AM87183, C2392G1, PS-9577, RP07675, RTC-068627, BC001992, AB0008995, DB-075089, TC-068627, 4 - Cyclohexylaminocarbonylphenylboronic acid, FT-0685322, ST24034560, 4-[(cyclohexylamino)carbonyl]phenylboronic acid, B-5357, [4-[(Cyclohexylamino)carbonyl]phenyl]boronic acid, J-515238, 4-(cyclohexylaminocarbonyl)phenylboronic acid, AldrichCPR, BORONIC ACID, [4-[(CYCLOHEXYLAMINO)CARBONYL]PHENYL]-, 4- phenylboronicacid, C13H18BNO3, ACN-042668, CID2773355, Boronic acid, [4-[(cyclohexylamino)carbonyl]phenyl]- (9CI),

Complexity	271
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.138g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	247.101g/mol
Monoisotopic Mass	247.138g/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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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