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Home > Imidazoles > 958245-18-6
958245-18-6 | 3-Methoxy-4-(4-methyl-1H-imidazol-1-yl);aniline
CAS No: 958245-18-6 Catalog No: AG00H7BJ MDL No:MFCD11870475
Product Description
Catalog Number:
AG00H7BJ
Chemical Name:
3-Methoxy-4-(4-methyl-1H-imidazol-1-yl);aniline
CAS Number:
958245-18-6
Molecular Formula:
C11H13N3O
Molecular Weight:
203.2404
MDL Number:
MFCD11870475
IUPAC Name:
3-methoxy-4-(4-methylimidazol-1-yl)aniline
InChI:
InChI=1S/C11H13N3O/c1-8-6-14(7-13-8)10-4-3-9(12)5-11(10)15-2/h3-7H,12H2,1-2H3
InChI Key:
JLIBQHGPJWSTQL-UHFFFAOYSA-N
SMILES:
COc1cc(N)ccc1n1cnc(c1)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.245g/mol
Monoisotopic Mass:
203.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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