AG008GTM

850568-12-6 | 4-(N-Ethylaminocarbonyl)phenylboronic acid

AG008GTM

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CAS Number	850568-12-6
Catalog Number	AG008GTM(AGN-PC-0KTXXR)
Chemical Name	4-(N-Ethylaminocarbonyl)phenylboronic acid
IUPAC Name	[4-(ethylcarbamoyl)phenyl]boronic acid
InChI	InChI=1S/C9H12BNO3/c1-2-11-9(12)7-3-5-8(6-4-7)10(13)14/h3-6,13-14H,2H2,1H3,(H,11,12)
InChI Key	DONAYSCOAAAZKS-UHFFFAOYSA-N
MDL Number	MFCD03411954
Molecular Formula	C9H12BNO3
Molecular Weight	193.0075
SMILES	OB(C1=CC=C(C(NCC)=O)C=C1)O
Synonyms	4-(N-Ethylaminocarbonyl)phenylboronic acid, 850568-12-6, 4-(ethylcarbamoyl)phenylboronic acid, [4-(ethylcarbamoyl)phenyl]boronic Acid, 4-(N-Ethylaminocarbonyl)benzeneboronic acid, B-[4-[(ETHYLAMINO)CARBONYL]PHENYL]-BORONIC ACID, AC1MPHNT, ACMC-209q1c, SCHEMBL387816, CTK5F3943, DTXSID50392225, DONAYSCOAAAZKS-UHFFFAOYSA-N, 4-ethylcarbamoyl-phenylboronic acid, ANW-38014, CE-183, MFCD03411954, 4-ethylaminocarbonyl-phenylboronic acid, AKOS006228250, ZINC169745723, AB14326, RP09405, RTC-068806, AS-30768, BC001016, 4-(N-ethylaminocarbonyl)phenyl-boronic acid, AB0030215, DB-010636, ST2405455, TC-068806, CS-0061527, FT-0685448, X2403, [4-(N-Ethylaminocarbonyl)phenyl]boronic acid, {4-[(ethylamino)carbonyl]phenyl}boronic acid, B-5693, Boronic acid,B-[4-[(ethylamino)carbonyl]phenyl]-, I04-2097, J-513795, 4-(N-ethylaminocarbonyl)benzeneboronic acid, AldrichCPR, 4- phenylboronicacid, C9H12BNO3, N-ETHYL 4-BORONOBENZAMIDE, 4-(ETHYLCARBAMOYL)BENZENEBORONIC ACID, ACN-042727, CID3411307, 4-(N-Ethylaminocarbonyl)phenylboronicacid, 121177-82-0,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	193.091g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	193.009g/mol
Monoisotopic Mass	193.091g/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-P305+P351+P338
UN Code

Certificate of Analysis

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