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4-heptylbenzoyl chloride

4-heptylbenzoyl chloride

CAS: 50606-96-7

Formula: C14H19ClO

SMILES: CCCCCCCC1=CC=C(C=C1)C(Cl)=O

IUPAC: 4-heptylbenzoyl chloride

InChI: InChI=1S/C14H19ClO/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-7H2,1H3

Composition: C (70.43%), H (8.02%), Cl (14.85%), O (6.70%)

Molar Mass: 238.76

Atom Count: 35

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 238.1124429
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey WHTFLTOKFXTJGV-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 69.82
Topological Polar Surface Area 17.07
Polarizability 26.88
Ring Count 1
Rotatable Bond Count 7

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