9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde

9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde

CAS: 852851-89-9

Formula: C10H9ClO3

SMILES: ClC1=CC(C=O)=CC2=C1OCCCO2

IUPAC: 9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde

InChI: InChI=1S/C10H9ClO3/c11-8-4-7(6-12)5-9-10(8)14-3-1-2-13-9/h4-6H,1-3H2

Composition: C (56.49%), H (4.27%), Cl (16.67%), O (22.57%)

Molar Mass: 212.63

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	212.0240218
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	PFMDPBFEHLDZOY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.27
Topological Polar Surface Area	35.53
Polarizability	20.32
Ring Count	2
Rotatable Bond Count	1

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