C1=CC(=CC(=C1)Cl)C(=O)OO
CAS: 937-14-4
Name: 3-chlorobenzenecarboperoxoic acid
SMILES: C1=CC(=CC(=C1)Cl)C(=O)OO

Molecular Processing

Molecular formula
C7H5ClO3
Molecular weight
172.57
Exact mass
171.9927
XLogP
1.97
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
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
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
39.5

Supplementary Information

InChIKey: NHQDETIJWKXCTC-UHFFFAOYSA-N
Synonyme
3-Chloroperoxybenzoic acid937-14-43-Chloroperbenzoic acidM-Chloroperoxybenzoic acidM-Chloroperbenzoic acidMCPBA3-Chlorobenzenecarboperoxoic acidm-CPBABenzenecarboperoxoic acid, 3-chloro-m-Chlorobenzoyl hydroperoxidePerbenzoic acid, m-chloro-Peroxybenzoic acid, m-chloro-G203D4H1RBNSC-97094DTXSID0061325CHEBI:52091RefChem:93524DTXCID7048879213-322-33-chlorobenzoperoxoic acidmeta-chloroperoxybenzoic acidmeta-chloroperbenzoic acid3-chlorobenzene-1-carboperoxoic acidNSC 970943-chloro-benzenecarboperoxoic acidmetachloroperbenzoic acidMFCD000021273-chlorobenzeneperoxycarboxylic acidCCRIS 639m-chloro-perbenzoic acid
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