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1330750-63-4 | Isoquinoline, 6-bromo-3-methoxy-
CAS No: 1330750-63-4 Catalog No: AG00147G MDL No:
Product Description
Catalog Number:
AG00147G
Chemical Name:
Isoquinoline, 6-bromo-3-methoxy-
CAS Number:
1330750-63-4
Molecular Formula:
C10H8BrNO
Molecular Weight:
238.0806
IUPAC Name:
6-bromo-3-methoxyisoquinoline
InChI:
InChI=1S/C10H8BrNO/c1-13-10-5-8-4-9(11)3-2-7(8)6-12-10/h2-6H,1H3
InChI Key:
JVMUEAIOOCTKKJ-UHFFFAOYSA-N
SMILES:
COc1ncc2c(c1)cc(cc2)Br
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.979g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.084g/mol
Monoisotopic Mass:
236.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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