AG0036DJ

850567-22-5 | 3-(Propylcarbamoyl)phenylboronic acid

AG0036DJ

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CAS Number	850567-22-5
Catalog Number	AG0036DJ(AGN-PC-071378)
Chemical Name	3-(Propylcarbamoyl)phenylboronic acid
IUPAC Name	[3-(propylcarbamoyl)phenyl]boronic acid
InChI	InChI=1S/C10H14BNO3/c1-2-6-12-10(13)8-4-3-5-9(7-8)11(14)15/h3-5,7,14-15H,2,6H2,1H3,(H,12,13)
InChI Key	DZGOREURDIPFFZ-UHFFFAOYSA-N
MDL Number	MFCD04038919
Molecular Formula	C10H14BNO3
Molecular Weight	207.0341
SMILES	c1(cccc(c1)B(O)O)C(=O)NCCC
Synonyms	850567-22-5, 3-(N-Propylaminocarbonyl)phenylboronic acid, (3-(Propylcarbamoyl)phenyl)boronic acid, 3-(propylcarbamoyl)phenylboronic acid, 3-(N-Propylaminocarbonyl)benzeneboronic acid, [3-(Propylcarbamoyl)phenyl]boronic acid, ACMC-209q0b, SCHEMBL1233804, CTK5F3911, DTXSID00657139, ANW-37977, MFCD04038919, AKOS015839623, ZINC169743989, AB17213, RTR-026419, BC001934, TR-026419, ST24034286, X1385, B-5419, Boronic acid,B-[3-[(propylamino)carbonyl]phenyl]-, I04-2207, 3-(N-propylaminocarbonyl)benzeneboronic acid, AldrichCPR, C10H14BNO3, (3-(Propylcarbamoyl)phenyl)boronicacid, ACN-042839, 3-(N-PROPYLCARBAMOYL)BENZENEBORONIC ACID,

Complexity	211
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.107g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	207.036g/mol
Monoisotopic Mass	207.107g/mol
Rotatable Bond Count	4
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-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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