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2,6-dimethylbenzoyl chloride

2,6-dimethylbenzoyl chloride

CAS: 21900-37-8

Formula: C9H9ClO

SMILES: CC1=CC=CC(C)=C1C(Cl)=O

IUPAC: 2,6-dimethylbenzoyl chloride

InChI: InChI=1S/C9H9ClO/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H3

Composition: C (64.11%), H (5.38%), Cl (21.02%), O (9.49%)

Molar Mass: 168.62

Atom Count: 20

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 168.0341926
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey CFLAYISSADVCJH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.26
Topological Polar Surface Area 17.07
Polarizability 17.6
Ring Count 1
Rotatable Bond Count 1

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96% <7 Days 21900-37-8 $21.74-$1,106.42$21.74$35.19$78.66$267.03$1,106.42
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