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4-butylbenzoyl chloride

4-butylbenzoyl chloride

CAS: 28788-62-7

Formula: C11H13ClO

SMILES: CCCCC1=CC=C(C=C1)C(Cl)=O

IUPAC: 4-butylbenzoyl chloride

InChI: InChI=1S/C11H13ClO/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3

Composition: C (67.18%), H (6.66%), Cl (18.02%), O (8.13%)

Molar Mass: 196.67

Atom Count: 26

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 196.0654927
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey OUOWCSJYDCPVDM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.02
Topological Polar Surface Area 17.07
Polarizability 21.35
Ring Count 1
Rotatable Bond Count 4

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