CAS: 69812-51-7
名称: methyl 4-chlorosulfonylbenzoate
SMILES:
COC(=O)C1=CC=C(C=C1)S(=O)(=O)ClMolecular Processing
Molecular formula
C8H7ClO4S
Molecular weight
234.66
Exact mass
233.9754
XLogP
1.4
TPSA
60.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
50.82
Supplementary Information
InChIKey: MOFQDKOKODUZPK-UHFFFAOYSA-N
同義語
69812-51-7Methyl 4-(Chlorosulfonyl)benzoateDTXSID40406204RefChem:816018DTXCID50357056822-349-5methyl 4-chlorosulfonylbenzoate4-Chlorosulfonyl-benzoic acid methyl ester4-Chlorosulfonylbenzoic acid methyl ester4-(CHLOROSULFONYL)-BENZOIC ACID METHYL ESTERMFCD00627554BENZOIC ACID, 4-(CHLOROSULFONYL)-, METHYL ESTER4-chlorosulfonyl benzoic acid methyl estermethyl4-chlorosulfonylbenzoateSCHEMBL118882MOFQDKOKODUZPK-UHFFFAOYSA-N4-carbomethoxyphenylsulfonyl chlorideSBB0815994-carbomethoxy-phenylsulfonyl chlorideAKOS000276577AB06596AC-7116CS-W002649FC32866GS-3537SY004034ST45175005EN300-15237F0418454-chlorosulfonyl-benzoic acid methyl ester, AldrichCPR
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