Structure Info
- Chemspace ID
- CSMB00011999655 (Enamine MADE)
- MFCD
- MFCD09056823
- IUPAC Name
- 5-methoxy-2-nitrobenzonitrile
- Mol formula
- C8H6N2O3
- Mol weight
- 178 Da
- Catalog Number(s)
- 36071, 146029, 38469-84-0, A015001611, A106705, AA00BYHE, AC004884, ACM38469840, AF57806, AG00BYK6, AK02574, AN57806, AOS00BYK6, AR00BZ96, ArZ-UP103425, BB023678, BBV-38302089, BD161358, CD12076628, CL8229, CM155813, CS-0028759, CSC011999655, D297043, D913777, DS-0656, F077101, FM140401, HY-W019349, J46285, JH679791, LAN-B34932, LN00173288, LQT-B34996, M326988, OR17612, R205275, SAB-023286, SY034475, W5921, Y1048417, ZX-AE043126, semt-443
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.61
- Heavy atoms count
- 13
- Rotatable bond count
- 2
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.125
- Polar surface area (Å)
- 76
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00011999655
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