AG004PC2

850568-18-2 | 4-(Furfurylaminocarbonyl)phenylboronic acid

AG004PC2

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CAS Number	850568-18-2
Catalog Number	AG004PC2(AGN-PC-0UX3KN)
Chemical Name	4-(Furfurylaminocarbonyl)phenylboronic acid
IUPAC Name	[4-(furan-2-ylmethylcarbamoyl)phenyl]boronic acid
InChI	InChI=1S/C12H12BNO4/c15-12(14-8-11-2-1-7-18-11)9-3-5-10(6-4-9)13(16)17/h1-7,16-17H,8H2,(H,14,15)
InChI Key	KXSMENBYQORPAK-UHFFFAOYSA-N
MDL Number	MFCD04115672
Molecular Formula	C12H12BNO4
Molecular Weight	245.0390
SMILES	O=C(C1=CC=C(B(O)O)C=C1)NCC2=CC=CO2
Synonyms	850568-18-2, 4-(Furfurylaminocarbonyl)phenylboronic acid, (4-((Furan-2-ylmethyl)carbamoyl)phenyl)boronic acid, {4-[(furan-2-ylmethyl)carbamoyl]phenyl}boronic acid, 4-((furan-2-ylmethyl)carbamoyl)phenylboronic acid, 4-[(furan-2-ylmethyl)carbamoyl]phenylboronic acid, AC1NLJAH, ACMC-209q1h, AMTB273, SCHEMBL2933285, CTK5F3948, DTXSID10407228, KXSMENBYQORPAK-UHFFFAOYSA-N, ANW-38019, MFCD04115672, AKOS015839458, ZINC169745428, AB20366, AM87247, PS-9583, DA-02775, 4-(Furfurylaminocarbonyl)benzeneboronic acid, TL8007147, TR-037982, FT-0724776, (4-Boronic acid)-N-(2-furylmethyl)benzamide, [4-(furfurylaminocarbonyl)phenyl]boronic acid, 4-(furan-2-ylmethylcarbamoyl)phenylboronic acid, B-5227, [4-(furan-2-ylmethylcarbamoyl)phenyl]boronic acid, [4-(Furfurylamino-1-carbonyl)phenyl]boronic acid, 4-[(Fur-2-ylmethyl)carbamoyl]benzeneboronic acid, I04-2191, Boronic acid,B-[4-[[(2-furanylmethyl)amino]carbonyl]phenyl]-, 4- phenylboronicacid, C12H12BNO4, ACN-042781, CID4982908, [4-(2-furylmethylcarbamoyl)phenyl]boronic Acid, 4-(FURFURYLCARBAMOYL)BENZENEBORONIC ACID, 4-((TETRAHYDROFURAN-2-YL)METHYLCARBAMOYL)PHENYLBORONIC ACID, 874534-61-9,

Complexity	279
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.086g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	245.041g/mol
Monoisotopic Mass	245.086g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	82.7A^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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