AG00BYG9

389621-81-2 | 4-Pyrrolidinylcarbonylphenylboronic acid

AG00BYG9

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CAS Number	389621-81-2
Catalog Number	AG00BYG9(AGN-PC-0KKVJ6)
Chemical Name	4-Pyrrolidinylcarbonylphenylboronic acid
IUPAC Name	[4-(pyrrolidine-1-carbonyl)phenyl]boronic acid
InChI	InChI=1S/C11H14BNO3/c14-11(13-7-1-2-8-13)9-3-5-10(6-4-9)12(15)16/h3-6,15-16H,1-2,7-8H2
InChI Key	VKPBESPVHGDDJS-UHFFFAOYSA-N
MDL Number	MFCD03411950
Molecular Formula	C11H14BNO3
Molecular Weight	219.0448
SMILES	c1c(ccc(c1)B(O)O)C(=O)N1CCCC1
Synonyms	389621-81-2, 4-(Pyrrolidine-1-carbonyl)phenylboronic acid, (4-(Pyrrolidine-1-carbonyl)phenyl)boronic acid, 4-Pyrrolidinylcarbonylphenylboronic acid, [4-(pyrrolidine-1-carbonyl)phenyl]boronic Acid, [4-(pyrrolidin-1-ylcarbonyl)phenyl]boronic acid, MFCD03411950, 4-BORONO-N-(1-PYRROLIDINYL)BENZAMIDE, (4-BORONOPHENYL)(PYRROLIDIN-1-YL)METHANONE, Boronic acid,B-[4-(1-pyrrolidinylcarbonyl)phenyl]-, BORONIC ACID, [4-(1-PYRROLIDINYLCARBONYL)PHENYL]-, 4-(Pyrrolidine-1-carbonyl)benzeneboronic acid, ACMC-209j2r, AC1MCN59, AMTB272, SCHEMBL204078, CTK4I0753, DTXSID70378561, VKPBESPVHGDDJS-UHFFFAOYSA-N, ANW-28993, AKOS015855864, ZINC169745694, 1-(4-BORONOBENZOYL)PYRROLIDINE, AB14317, PS-9532, RP07394, RTC-069334, VB10662, AN-28551, BC002043, 4-(pyrrolidine-1-carbonyl)phenyboronic acid, AB0008965, DB-032405, TC-069334, 4(pyrrolidin-1-ylcarbonyl)phenylboronic acid, 4-pyrrolidine-1-carbonyl phenyl boronic acid, FT-0644568, P2105, ST24034591, 4-(pyrrolidin-1-ylcarbonyl)phenylboronic acid, [4-(1-pyrrolidinylcarbonyl)phenyl]boronic acid, 4-(Pyrrolidine-1-carbonyl)-phenyl boronic acid, 4-[(1-Pyrrolidinyl)carbonyl]phenylboronic Acid, A22900, B-3200, 4-[(1-Pyrrolidinyl)carbonyl]benzeneboronic Acid, 621P812, J-513859, [4-(1-PYRROLIDINYLCARBONYL)PHENYL]-BORONIC ACID, 4-(pyrrolidine-1-carbonyl)phenylboronic acid, AldrichCPR, 4-[(PYRROLIDIN-1-YL)CARBONYL]BENZENEBORONIC ACID, 4- phenylboronicacid, C11H14BNO3, ACN-032649, CID2773571, Boronic acid, [4-(1-pyrrolidinylcarbonyl)phenyl]- (9CI),

Complexity	246
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.107g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	219.047g/mol
Monoisotopic Mass	219.107g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	60.8A^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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