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209285-92-7 | Isoquinoline, 7-(bromomethyl)-1-chloro-
CAS No: 209285-92-7 Catalog No: AG002K57 MDL No:MFCD09835505
Product Description
Catalog Number:
AG002K57
Chemical Name:
Isoquinoline, 7-(bromomethyl)-1-chloro-
CAS Number:
209285-92-7
Molecular Formula:
C10H7BrClN
Molecular Weight:
256.5263
MDL Number:
MFCD09835505
IUPAC Name:
7-(bromomethyl)-1-chloroisoquinoline
InChI:
InChI=1S/C10H7BrClN/c11-6-7-1-2-8-3-4-13-10(12)9(8)5-7/h1-5H,6H2
InChI Key:
DKSJHPRSSYLKRE-UHFFFAOYSA-N
SMILES:
BrCc1ccc2c(c1)c(Cl)ncc2
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.945g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.527g/mol
Monoisotopic Mass:
254.945g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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