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4-(ethylamino)benzoyl chloride

4-(ethylamino)benzoyl chloride

CAS: 4755-50-4

Formula: C9H10ClNO

SMILES: CCNC1=CC=C(C=C1)C(Cl)=O

IUPAC: 4-(ethylamino)benzoyl chloride

InChI: InChI=1S/C9H10ClNO/c1-2-11-8-5-3-7(4-6-8)9(10)12/h3-6,11H,2H2,1H3

Composition: C (58.87%), H (5.49%), Cl (19.30%), N (7.63%), O (8.71%)

Molar Mass: 183.64

Atom Count: 22

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 183.0450916
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey XFLQAKBFRUFBJS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.12
Topological Polar Surface Area 29.1
Polarizability 18.9
Ring Count 1
Rotatable Bond Count 3

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