C1COC2=C(C1Cl)C=CC(=C2)C#N
CAS: 1376933-54-8
Name: 4-chloro-3,4-dihydro-2H-chromene-7-carbonitrile
SMILES: C1COC2=C(C1Cl)C=CC(=C2)C#N

Molecular Processing

Molecular formula
C10H8ClNO
Molecular weight
193.63
Exact mass
193.0294
XLogP
2.62
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
49.86

Supplementary Information

InChIKey: AFVPXRFWSXMKCH-UHFFFAOYSA-N
Synonyms
4-chloro-7-cyanochromanSCHEMBL4140034AFVPXRFWSXMKCH-UHFFFAOYSA-N1376933-54-8DB-305827
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Involved in 5 reactions→

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