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21889-05-4 | 4-(1H-Indol-2-yl);aniline
CAS No: 21889-05-4 Catalog No: AG006YYY MDL No:MFCD01719190
Product Description
Catalog Number:
AG006YYY
Chemical Name:
4-(1H-Indol-2-yl);aniline
CAS Number:
21889-05-4
Molecular Formula:
C14H12N2
Molecular Weight:
208.2585
MDL Number:
MFCD01719190
IUPAC Name:
4-(1H-indol-2-yl)aniline
InChI:
InChI=1S/C14H12N2/c15-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9,16H,15H2
InChI Key:
BBYJHUAEFSHMHU-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1cc2c([nH]1)cccc2
UNII:
951PA1NR6Z
NSC Number:
119095
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.264g/mol
Monoisotopic Mass:
208.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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