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Home > Bromides > 1416438-38-4
1416438-38-4 | Quinoline, 3-bromo-5-methoxy-
CAS No: 1416438-38-4 Catalog No: AG001GSM MDL No:MFCD22690582
Product Description
Catalog Number:
AG001GSM
Chemical Name:
Quinoline, 3-bromo-5-methoxy-
CAS Number:
1416438-38-4
Molecular Formula:
C10H8BrNO
Molecular Weight:
238.0806
MDL Number:
MFCD22690582
IUPAC Name:
3-bromo-5-methoxyquinoline
InChI:
InChI=1S/C10H8BrNO/c1-13-10-4-2-3-9-8(10)5-7(11)6-12-9/h2-6H,1H3
InChI Key:
ZWDNTOJIDPGGDV-UHFFFAOYSA-N
SMILES:
COc1cccc2c1cc(Br)cn2
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:
2.9
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