C1=CC(=CC=C1C#N)C(=O)Cl
CAS: 6068-72-0
الاسم: 4-cyanobenzoyl chloride
SMILES: C1=CC(=CC=C1C#N)C(=O)Cl

Molecular Processing

Molecular formula
C8H4ClNO
Molecular weight
165.58
Exact mass
164.9981
XLogP
1.94
TPSA
40.86
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
41.34

Supplementary Information

InChIKey: USEDMAWWQDFMFY-UHFFFAOYSA-N
مرادفات
4-Cyanobenzoyl chloride6068-72-0p-CYANOBENZOYL CHLORIDEBenzoyl chloride, 4-cyano-4-cyanobenzoic acid chloridePara-cyanobenzoyl chlorideUNII-2577FDE7A84-(Chlorocarbonyl)benzonitrile2577FDE7A8EINECS 228-005-5Benzoyl chloride, p-cyano-CHEBI:184302DTXSID80209493RefChem:98652DTXCID00131984228-005-54-Cyanobenzoylchloride4-Cyano-benzoyl chlorideMFCD000018224cyanobenzoyl chloride4-cyano-benzoylchloride4-cyanobenzoyl-chlorideSCHEMBL19504-Cyanobenzoyl chloride, 98%CS-M3566STR02292SBB059843AKOS008901131DB-053689NS00034431
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