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959121-99-4

959121-99-4 | 3-Bromo-7-methoxyquinoline

CAS No: 959121-99-4 Catalog No: AG0038IP MDL No:MFCD11877932

Product Description

Catalog Number:
AG0038IP
Chemical Name:
3-Bromo-7-methoxyquinoline
CAS Number:
959121-99-4
Molecular Formula:
C10H8BrNO
Molecular Weight:
238.0806
MDL Number:
MFCD11877932
IUPAC Name:
3-bromo-7-methoxyquinoline
InChI:
InChI=1S/C10H8BrNO/c1-13-9-3-2-7-4-8(11)6-12-10(7)5-9/h2-6H,1H3
InChI Key:
BOTSUSKVHVRQAY-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)ncc(c2)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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