AG00GAH3

787640-44-2 | 6,7-DIFLUORO-1,2,3,4-TETRAHYDROISOQUINOLINE

AG00GAH3

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CAS Number	787640-44-2
Catalog Number	AG00GAH3(AGN-PC-0WAMUL)
Chemical Name	6,7-DIFLUORO-1,2,3,4-TETRAHYDROISOQUINOLINE
IUPAC Name	6,7-difluoro-1,2,3,4-tetrahydroisoquinoline
InChI	InChI=1S/C9H9F2N/c10-8-3-6-1-2-12-5-7(6)4-9(8)11/h3-4,12H,1-2,5H2
InChI Key	YJAKFAUAMXMLPT-UHFFFAOYSA-N
MDL Number	MFCD13179156
Molecular Formula	C9H9F2N
Molecular Weight	169.1713
SMILES	FC1=CC2=C(C=C1F)CCNC2
Synonyms	6,7-difluoro-1,2,3,4-tetrahydroisoquinoline, 787640-44-2, 6,7-DIFLUORO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE, Isoquinoline, 6,7-difluoro-1,2,3,4-tetrahydro-, SCHEMBL4788250, KS-00000PR4, MFCD13179156, ZINC36155050, AK321166, DS-11756,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.07g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	169.175g/mol
Monoisotopic Mass	169.07g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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