Home Halogens Isoquinoline, 1-chloro-7-fluoro-6-methoxy-

Isoquinoline, 1-chloro-7-fluoro-6-methoxy-

CAS No.:
630422-99-0
Catalog Number:
AG00IB52
Molecular Formula:
C10H7ClFNO
Molecular Weight:
211.6201
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Product Description
Catalog Number:
AG00IB52
Chemical Name:
Isoquinoline, 1-chloro-7-fluoro-6-methoxy-
CAS Number:
630422-99-0
Molecular Formula:
C10H7ClFNO
Molecular Weight:
211.6201
MDL Number:
MFCD21876101
IUPAC Name:
1-chloro-7-fluoro-6-methoxyisoquinoline
InChI:
InChI=1S/C10H7ClFNO/c1-14-9-4-6-2-3-13-10(11)7(6)5-8(9)12/h2-5H,1H3
InChI Key:
PKGOAHVKZIEDOX-UHFFFAOYSA-N
SMILES:
COc1cc2ccnc(c2cc1F)Cl
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.02g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.62g/mol
Monoisotopic Mass:
211.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties