BENZO(c)PHENANTHRENE, 5-ISOPROPYL-
Basic information
- CAS
63020-53-1- Standard SMILES
CC(C)c1cc2ccc3ccccc3c2c2ccccc12- InChIKey
RESRCWGRKNPWHS-UHFFFAOYSA-N- Molecular formula
- C21H18
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.14085057
Names & identifiers
- Preferred name
- BENZO(c)PHENANTHRENE, 5-ISOPROPYL-
- IUPAC
- 5-propan-2-ylbenzo[c]phenanthrene
- English name
- 5-Isopropylbenzo[c]phenanthrene
- Molecular formula
- C21H18
- Molecular weight
- 270.37
Names & synonyms
BENZO(c)PHENANTHRENE, 5-ISOPROPYL-63020-53-1Benzo[c]phenanthrene, 5-isopropyl-BRN 32820002-Isopropyl-3:4-benzphenanthrene5-Isopropylbenzo[c]phenanthreneBenzo[c]phenanthrene, 8-(1-methylethyl)-TPP34H3GXBDTXSID502122925-(Propan-2-yl)benzo[c]phenanthrene5-(1-Methylethyl)benzo[c]phenanthreneBenzo[c]phenanthrene, 5-(1-methylethyl)-
Show more names
DB-317732
Database identifiers
- CAS
63020-53-1- PubChem CID
- 44315
- DTXSID
DTXSID50212292- UNII
- TPP34H3GXB
- Nikkaji
- J132.040H
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 357
Physicochemical properties
- Melting point
- 91.5 · 91.5-92.5 °C
- Boiling point
- 348.48 °C · 348.48°C (rough estimate)
- Density
- 1.0691 · 1.0691 (estimate)
- refractive index
- 1.764 · 1.7640 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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