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Home > Indoles and Oxindole > 860784-02-7
860784-02-7 | (4-nitrophenyl)methyl 4-(1H-indol-3-yl)butanoate
CAS No: 860784-02-7 Catalog No: AG00INU9 MDL No:MFCD04124447
Product Description
Catalog Number:
AG00INU9
Chemical Name:
(4-nitrophenyl)methyl 4-(1H-indol-3-yl)butanoate
CAS Number:
860784-02-7
Molecular Formula:
C19H18N2O4
Molecular Weight:
338.3572
MDL Number:
MFCD04124447
IUPAC Name:
(4-nitrophenyl)methyl 4-(1H-indol-3-yl)butanoate
InChI:
InChI=1S/C19H18N2O4/c22-19(25-13-14-8-10-16(11-9-14)21(23)24)7-3-4-15-12-20-18-6-2-1-5-17(15)18/h1-2,5-6,8-12,20H,3-4,7,13H2
InChI Key:
GRXNQKWXKCTVBH-UHFFFAOYSA-N
SMILES:
O=C(OCc1ccc(cc1)[N+](=O)[O-])CCCc1c[nH]c2c1cccc2
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.127g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.363g/mol
Monoisotopic Mass:
338.127g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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