Home Halogens Isoquinoline, 5-(bromomethyl)-

Isoquinoline, 5-(bromomethyl)-

CAS No.:
158654-74-1
Catalog Number:
AG001QQ1
Molecular Formula:
C10H8BrN
Molecular Weight:
222.0812
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Product Description
Catalog Number:
AG001QQ1
Chemical Name:
Isoquinoline, 5-(bromomethyl)-
CAS Number:
158654-74-1
Molecular Formula:
C10H8BrN
Molecular Weight:
222.0812
IUPAC Name:
5-(bromomethyl)isoquinoline
InChI:
InChI=1S/C10H8BrN/c11-6-8-2-1-3-9-7-12-5-4-10(8)9/h1-5,7H,6H2
InChI Key:
YDGUDRWCJOVQRC-UHFFFAOYSA-N
SMILES:
BrCc1cccc2c1ccnc2
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.984g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.085g/mol
Monoisotopic Mass:
220.984g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties