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130109-95-4 | Isoquinoline, 1-(bromomethyl)-1,2,3,4-tetrahydro-
CAS No: 130109-95-4 Catalog No: AG000U0E MDL No:MFCD09991599
Product Description
Catalog Number:
AG000U0E
Chemical Name:
Isoquinoline, 1-(bromomethyl)-1,2,3,4-tetrahydro-
CAS Number:
130109-95-4
Molecular Formula:
C10H12BrN
Molecular Weight:
226.1130
MDL Number:
MFCD09991599
IUPAC Name:
1-(bromomethyl)-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C10H12BrN/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-4,10,12H,5-7H2
InChI Key:
IUHXMWQLNAFUOA-UHFFFAOYSA-N
SMILES:
BrCC1NCCc2c1cccc2
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.015g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.117g/mol
Monoisotopic Mass:
225.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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