AG00APVV

171922-46-6 | 4-(N-Propylaminocarbonyl)phenylboronic acid

AG00APVV

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CAS Number	171922-46-6
Catalog Number	AG00APVV(AGN-PC-0KKVJ4)
Chemical Name	4-(N-Propylaminocarbonyl)phenylboronic acid
IUPAC Name	[4-(propylcarbamoyl)phenyl]boronic acid
InChI	InChI=1S/C10H14BNO3/c1-2-7-12-10(13)8-3-5-9(6-4-8)11(14)15/h3-6,14-15H,2,7H2,1H3,(H,12,13)
InChI Key	KWJCBWYHJKWCRD-UHFFFAOYSA-N
MDL Number	MFCD06656015
Molecular Formula	C10H14BNO3
Molecular Weight	207.0341
SMILES	c1c(ccc(c1)B(O)O)C(=O)NCCC
Synonyms	171922-46-6, 4-(N-Propylaminocarbonyl)phenylboronic acid, (4-(Propylcarbamoyl)phenyl)boronic acid, 4-(propylcarbamoyl)phenylboronic acid, [4-(propylcarbamoyl)phenyl]boronic Acid, 4-(N-PROPYLCARBAMOYL)BENZENEBORONIC ACID, N-PROPYL 4-BORONOBENZAMIDE, MFCD06656015, 4-(Propylaminocarbonyl)benzeneboronic acid, ACMC-1C1GN, AC1MCN55, SCHEMBL2316651, CTK0H3511, DTXSID10378560, ANW-22542, AKOS015839624, ZINC169745758, AB25446, BC001941, TR-007565, ST24034587, X1337, J3.517.515F, B-3385, 4-(N-PROPYLAMINOCARBONYL)PHENYLBORONICACID, I04-2206, 4-(N-propylaminocarbonyl)phenylboronic acid, AldrichCPR, C10H14BNO3, (4-(Propylcarbamoyl)phenyl)boronicacid, ACN-042840, CID2773569,

Complexity	203
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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