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4-chlorobenzaldehyde

4-chlorobenzaldehyde

CAS: 104-88-1

Formula: C7H5ClO

SMILES: ClC1=CC=C(C=O)C=C1

IUPAC: 4-chlorobenzaldehyde

InChI: InChI=1S/C7H5ClO/c8-7-3-1-6(5-9)2-4-7/h1-5H

Composition: C (59.81%), H (3.59%), Cl (25.22%), O (11.38%)

Molar Mass: 140.57

Atom Count: 14

Heavy Atom Count: 9

Properties
Properties
Common Names C7H5ClO; ccris 857
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 140.0028925
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey AVPYQKSLYISFPO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 37.45
Topological Polar Surface Area 17.07
Polarizability 14.09
Ring Count 1
Rotatable Bond Count 1

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