CAS
939758-71-1 Purity
96%
939758-71-1 Purity
96%
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5,7-Difluoro-1,2,3,4-tetrahydro-isoquinoline
CAS
939758-81-3
Catalog Number
ACM939758813
Category
Other Products
Molecular Weight
169.171266 [g/mol]
Molecular Formula
C9H9F2N
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Specification
Synonyms
5,7-difluoro-1,2,3,4-tetrahydroisoquinoline, MolPort-003-886-235, ZINC16082966, AKOS011659961, NE38459, AJ-68151, 5,7-DIFLUORO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE, 5,7-Difluoro-1,2,3,4-tetrahydro-isoquinoline 1HCl salt, 939758-81-3
IUPAC Name
5,7-difluoro-1,2,3,4-tetrahydroisoquinoline
Canonical SMILES
C1CNCC2=CC(=CC(=C21)F)F
InChI Key
RCZPTODWGNKJNL-UHFFFAOYSA-N
Boiling Point
223.2±40.0 °C (760 mmHg)
Density
1.202±0.06 g/cm³ (20 °C, 760 mmHg)
Exact Mass
169.07000
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 5,7-Difluoro-1,2,3,4-tetrahydro-isoquinoline?
The molecular formula of 5,7-Difluoro-1,2,3,4-tetrahydro-isoquinoline is C9H9F2N.
When was 5,7-Difluoro-1,2,3,4-tetrahydro-isoquinoline created in PubChem?
5,7-Difluoro-1,2,3,4-tetrahydro-isoquinoline was created in PubChem on 2007-07-30.
What is the IUPAC name of 5,7-Difluoro-1,2,3,4-tetrahydro-isoquinoline?
The IUPAC name of 5,7-Difluoro-1,2,3,4-tetrahydro-isoquinoline is 5,7-difluoro-1,2,3,4-tetrahydroisoquinoline.
What is the InChIKey for 5,7-Difluoro-1,2,3,4-tetrahydro-isoquinoline?
The InChIKey for 5,7-Difluoro-1,2,3,4-tetrahydro-isoquinoline is RCZPTODWGNKJNL-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does 5,7-Difluoro-1,2,3,4-tetrahydro-isoquinoline have?
5,7-Difluoro-1,2,3,4-tetrahydro-isoquinoline has 3 hydrogen bond acceptor counts.
What is the topological polar surface area of 5,7-Difluoro-1,2,3,4-tetrahydro-isoquinoline?
The topological polar surface area of 5,7-Difluoro-1,2,3,4-tetrahydro-isoquinoline is 122.
How many heavy atoms does 5,7-Difluoro-1,2,3,4-tetrahydro-isoquinoline have?
5,7-Difluoro-1,2,3,4-tetrahydro-isoquinoline has 12 heavy atoms.
Is 5,7-Difluoro-1,2,3,4-tetrahydro-isoquinoline a canonicalized compound?
Yes, 5,7-Difluoro-1,2,3,4-tetrahydro-isoquinoline is a canonicalized compound.
What is the formal charge of 5,7-Difluoro-1,2,3,4-tetrahydro-isoquinoline?
The formal charge of 5,7-Difluoro-1,2,3,4-tetrahydro-isoquinoline is 0.
What is the complexity value of 5,7-Difluoro-1,2,3,4-tetrahydro-isoquinoline?
The complexity value of 5,7-Difluoro-1,2,3,4-tetrahydro-isoquinoline is 163.
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