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158654-74-1 | Isoquinoline, 5-(bromomethyl)-
CAS No: 158654-74-1 Catalog No: AG001QQ1 MDL No:MFCD11052622
Product Description
Catalog Number:
AG001QQ1
Chemical Name:
Isoquinoline, 5-(bromomethyl)-
CAS Number:
158654-74-1
Molecular Formula:
C10H8BrN
Molecular Weight:
222.0812
MDL Number:
MFCD11052622
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
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