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1822679-63-9

1822679-63-9 | Isoquinoline, 5-bromo-4-chloro-

CAS No: 1822679-63-9 Catalog No: AG0023IY MDL No:

Product Description

Catalog Number:
AG0023IY
Chemical Name:
Isoquinoline, 5-bromo-4-chloro-
CAS Number:
1822679-63-9
Molecular Formula:
C9H5BrClN
Molecular Weight:
242.4997
IUPAC Name:
5-bromo-4-chloroisoquinoline
InChI:
InChI=1S/C9H5BrClN/c10-7-3-1-2-6-4-12-5-8(11)9(6)7/h1-5H
InChI Key:
VWZRTGVSAHMYCH-UHFFFAOYSA-N
SMILES:
Clc1cncc2c1c(Br)ccc2

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:
3.4  

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