CAS: 134610-30-3
Nombre: 3,4-dimethoxy-5-nitrobenzoyl chloride
SMILES:
COC1=CC(=CC(=C1OC)[N+](=O)[O-])C(=O)ClMolecular Processing
Molecular formula
C9H8ClNO5
Molecular weight
245.62
Exact mass
245.0091
XLogP
1.99
TPSA
78.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
56.38
Supplementary Information
InChIKey: PNDFTWPJERLXHE-UHFFFAOYSA-N
Sinónimos
3,4-dimethoxy-5-nitrobenzoyl chloride134610-30-3SCHEMBL1447496SCHEMBL29493658PNDFTWPJERLXHE-UHFFFAOYSA-N3,4-dimethoxy-5-nitro-benzoyl chloride
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