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205055-63-6 | Isoquinoline, 6-bromo-1-chloro-
CAS No: 205055-63-6 Catalog No: AG0029U8 MDL No:MFCD06738661
Product Description
Catalog Number:
AG0029U8
Chemical Name:
Isoquinoline, 6-bromo-1-chloro-
CAS Number:
205055-63-6
Molecular Formula:
C9H5BrClN
Molecular Weight:
242.4997
MDL Number:
MFCD06738661
IUPAC Name:
6-bromo-1-chloroisoquinoline
InChI:
InChI=1S/C9H5BrClN/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-5H
InChI Key:
VOAHGGQULSSGQW-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)ccnc2Cl
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.929g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.5g/mol
Monoisotopic Mass:
240.929g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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