Home Halogens 3-chloro-6,7-difluoroisoquinoline

3-chloro-6,7-difluoroisoquinoline

CAS No.:
1699360-37-6
Catalog Number:
AG01BTMQ
Molecular Formula:
C9H4ClF2N
Molecular Weight:
199.5846
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Product Description
Catalog Number:
AG01BTMQ
Chemical Name:
3-chloro-6,7-difluoroisoquinoline
CAS Number:
1699360-37-6
Molecular Formula:
C9H4ClF2N
Molecular Weight:
199.5846
MDL Number:
MFCD30730605
IUPAC Name:
3-chloro-6,7-difluoroisoquinoline
InChI:
InChI=1S/C9H4ClF2N/c10-9-3-5-1-7(11)8(12)2-6(5)4-13-9/h1-4H
InChI Key:
WFTVCDGKDNIKTI-UHFFFAOYSA-N
SMILES:
Clc1ncc2c(c1)cc(c(c2)F)F
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.585g/mol
Monoisotopic Mass:
199g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties