AG004SII

850567-21-4 | 3-(N-Ethylaminocarbonyl)phenylboronic acid

AG004SII

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CAS Number	850567-21-4
Catalog Number	AG004SII(AGN-PC-0KX9J6)
Chemical Name	3-(N-Ethylaminocarbonyl)phenylboronic acid
IUPAC Name	[3-(ethylcarbamoyl)phenyl]boronic acid
InChI	InChI=1S/C9H12BNO3/c1-2-11-9(12)7-4-3-5-8(6-7)10(13)14/h3-6,13-14H,2H2,1H3,(H,11,12)
InChI Key	WMMRKCBSJZVRRG-UHFFFAOYSA-N
MDL Number	MFCD04115689
Molecular Formula	C9H12BNO3
Molecular Weight	193.0075
SMILES	OB(C1=CC=CC(C(NCC)=O)=C1)O
Synonyms	3-(N-Ethylaminocarbonyl)phenylboronic acid, 850567-21-4, 3-(ethylcarbamoyl)phenylboronic acid, 3-(N-Ethylaminocarbonyl)benzeneboronic acid, 3-(Ethylcarbamoyl)benzeneboronic acid, [3-(ethylcarbamoyl)phenyl]boronic Acid, MFCD04115689, Boronic acid,B-[3-[(ethylamino)carbonyl]phenyl]-, B-[3-[(ETHYLAMINO)CARBONYL]PHENYL]-BORONIC ACID, (3-(Ethylcarbamoyl)phenyl)boronic acid, AC1MTSFI, ACMC-209q0a, SCHEMBL3031782, CTK5F3910, DTXSID80394111, WMMRKCBSJZVRRG-UHFFFAOYSA-N, 3-(Ethylcarbamoyl)benzeneboronic aci, ANW-37976, CE-176, AKOS006221828, ZINC169745498, AB20403, RTR-026418, AS-30769, 3-(ethylcarbamoyl)benzeneboronic acid 97%, DB-010499, ST2404833, TR-026418, FT-0722656, X2357, B-5753, 3-(N-ETHYLAMINOCARBOYL)PHENYLBORONIC ACID, boronicacid, [3-[(ethylamino)carbonyl]phenyl]- (9ci), I14-31797, 3-(N-ethylaminocarbonyl)benzeneboronic acid, AldrichCPR, 3-[(ethylamino)carbonyl]benzeneboronic acid, 3-borono-n-ethylbenzamide, 3- BENZENEBORONICACID, C9H12BNO3, ACN-042726, CID3607123,

Complexity	199
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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