AG00CMNM

347146-17-2 | TERT-BUTYL 8-BROMOQUINOLIN-3-YLCARBAMATE

AG00CMNM

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CAS Number	347146-17-2
Catalog Number	AG00CMNM(AGN-PC-0JK0M0)
Chemical Name	TERT-BUTYL 8-BROMOQUINOLIN-3-YLCARBAMATE
IUPAC Name	tert-butyl N-(8-bromoquinolin-3-yl)carbamate
InChI	InChI=1S/C14H15BrN2O2/c1-14(2,3)19-13(18)17-10-7-9-5-4-6-11(15)12(9)16-8-10/h4-8H,1-3H3,(H,17,18)
InChI Key	OLPPUZMUZMMHGO-UHFFFAOYSA-N
MDL Number	MFCD26383633
Molecular Formula	C14H15BrN2O2
Molecular Weight	323.1851
SMILES	O=C(OC(C)(C)C)NC1=CC2=CC=CC(Br)=C2N=C1
Synonyms	347146-17-2, TERT-BUTYL 8-BROMOQUINOLIN-3-YLCARBAMATE, tert-Butyl (8-bromoquinolin-3-yl)carbamate, tert-butyl 8-bromoquinolin-3-ylcarbamate, 99%, 3-(Boc-amino)-8-bromoquinoline, DTXSID20857139, MFCD26383633, ZINC95831045, AKOS025146703, FCH3091116, AK164680, AS-30846, QC-11524, SC-66433, AB0048642, tert-butyl N-(8-bromoquinolin-3-yl)carbamate,

Complexity	330
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	322.032g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	323.19g/mol
Monoisotopic Mass	322.032g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	51.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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