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101273-53-4 | Isoquinoline, 4-(4-methoxyphenyl)-
CAS No: 101273-53-4 Catalog No: AG00044I MDL No:
Product Description
Catalog Number:
AG00044I
Chemical Name:
Isoquinoline, 4-(4-methoxyphenyl)-
CAS Number:
101273-53-4
Molecular Formula:
C16H13NO
Molecular Weight:
235.2805
IUPAC Name:
4-(4-methoxyphenyl)isoquinoline
InChI:
InChI=1S/C16H13NO/c1-18-14-8-6-12(7-9-14)16-11-17-10-13-4-2-3-5-15(13)16/h2-11H,1H3
InChI Key:
MPUAUKGQZBMODE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cncc2c1cccc2
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.286g/mol
Monoisotopic Mass:
235.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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