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86604-40-2 | 3-Thiophenecarbonitrile, 2-amino-4-(4-methoxyphenyl)-
CAS No: 86604-40-2 Catalog No: AG004L28 MDL No:MFCD02854973
Product Description
Catalog Number:
AG004L28
Chemical Name:
3-Thiophenecarbonitrile, 2-amino-4-(4-methoxyphenyl)-
CAS Number:
86604-40-2
Molecular Formula:
C12H10N2OS
Molecular Weight:
230.2856
MDL Number:
MFCD02854973
IUPAC Name:
2-amino-4-(4-methoxyphenyl)thiophene-3-carbonitrile
InChI:
InChI=1S/C12H10N2OS/c1-15-9-4-2-8(3-5-9)11-7-16-12(14)10(11)6-13/h2-5,7H,14H2,1H3
InChI Key:
QNIPKTMXJFZLMN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1csc(c1C#N)N
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.285g/mol
Monoisotopic Mass:
230.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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