CC1=CC=CC=C1C(=O)Cl
CAS: 933-88-0
Name: 2-methylbenzoyl chloride
SMILES: CC1=CC=CC=C1C(=O)Cl

Molecular Processing

Molecular formula
C8H7ClO
Molecular weight
154.6
Exact mass
154.0185
XLogP
2.37
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
41.36

Supplementary Information

InChIKey: GPZXFICWCMCQPF-UHFFFAOYSA-N
Synonyme
o-Toluoyl chloride2-Methylbenzoyl chloride933-88-0Benzoyl chloride, 2-methyl-o-Methylbenzoyl chloride2-Toluoyl chlorideo-Toluic acid chloride2-methylbenzoic acid chlorideEINECS 213-273-8J9YKN18E7RCCRIS 8618DTXSID1061314RefChem:475978DTXCID3048861213-273-8InChI=1/C8H7ClO/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1HMethylbenzoyl chloride37808-28-92-Methyl-Benzoyl ChlorideMFCD000006682-methylbenzoylchloride2-methyl benzoyl chlorideUNII-J9YKN18E7RToluoylchlorideo-toloyl chlorideo-toluic chloride2-Methylbenzoic Acid Chloride; 2-Methylbenzoyl Chloride; 2-Toluoyl Chloride; o-Methylbenzoyl Chloride; o-Toluic Acid ChlorideEINECS 253-674-5orthotoluoyl chlorideo-methylbenzoylchloride
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