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89446-53-7 | Quinoline, 7-bromo-2-methoxy-4-methyl-
CAS No: 89446-53-7 Catalog No: AG0043EM MDL No:MFCD27931691
Product Description
Catalog Number:
AG0043EM
Chemical Name:
Quinoline, 7-bromo-2-methoxy-4-methyl-
CAS Number:
89446-53-7
Molecular Formula:
C11H10BrNO
Molecular Weight:
252.1072
MDL Number:
MFCD27931691
IUPAC Name:
7-bromo-2-methoxy-4-methylquinoline
InChI:
InChI=1S/C11H10BrNO/c1-7-5-11(14-2)13-10-6-8(12)3-4-9(7)10/h3-6H,1-2H3
InChI Key:
CIGLFVWFRKNNSC-UHFFFAOYSA-N
SMILES:
COc1cc(C)c2c(n1)cc(cc2)Br
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.995g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.111g/mol
Monoisotopic Mass:
250.995g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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