C1=CC=C(C=C1)CCC(=O)Cl
CAS: 645-45-4
Nom: 3-phenylpropanoyl chloride
SMILES: C1=CC=C(C=C1)CCC(=O)Cl

Molecular Processing

Molecular formula
C9H9ClO
Molecular weight
168.62
Exact mass
168.0342
XLogP
2.38
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
45.62

Supplementary Information

InChIKey: MFEILWXBDBCWKF-UHFFFAOYSA-N
Synonymes
3-Phenylpropanoyl chlorideHydrocinnamoyl chloride3-Phenylpropionyl chlorideBenzenepropanoyl chloride3-Phenylpropionic acid chlorideAI3-18968EINECS 211-443-6BRN 0742586CCRIS 8627DTXSID4060947MFEILWXBDBCWKF-UHFFFAOYSA-4-09-00-01762 (Beilstein Handbook Reference)RefChem:117709DTXCID8044331211-443-6InChI=1/C9H9ClO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2MFEILWXBDBCWKF-UHFFFAOYSA-N645-45-4Dihydrocinnamoyl chlorideHydrocinnamoylchloridePropionyl chloride, 3-phenyl-beta-Phenylpropionyl chlorideNSC 2854MFCD00000748.beta.-Phenylpropanoyl chloride.beta.-Phenylpropionyl chlorideNSC-28543-phenyl propionyl chloridebeta-Phenylpropanoyl chloride3-phenyl-propionyl chloride
Voir la source →
Impliqué dans 465 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→