CAS: 874-60-2
Название: 4-methylbenzoyl chloride
SMILES:
CC1=CC=C(C=C1)C(=O)ClMolecular 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: NQUVCRCCRXRJCK-UHFFFAOYSA-N
Синонимы
4-Methylbenzoyl chloridep-TOLUOYL CHLORIDE874-60-2p-Methylbenzoyl chlorideBenzoyl chloride, 4-methyl-4-Toluoyl chloridep-Toluic acid chloridep-Toluyl chloride4-Methylbenzoic acid chlorideDTXSID5052595EINECS 212-864-8UNII-092E36PWL4BRN 0471492CCRIS 8620092E36PWL44-METHYLBENZENECARBONYL CHLORIDEDTXCID20311684-09-00-01733 (Beilstein Handbook Reference)RefChem:99850InChI=1/C8H7ClO/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1HNQUVCRCCRXRJCK-UHFFFAOYSA-NMFCD000006964-Methylbenzoylchloride4-Methyl-Benzoyl Chloridep-Toluoyl chlorideP-METHYL BENZOYL CHLORIDE4-toluoylchloridep-toloyl chloriderho-toluoyl chloridepara-toluoyl chloride
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