CAS: 53663-39-1
이름: 2-bromo-3-methylbenzoic acid
SMILES:
CC1=C(C(=CC=C1)C(=O)O)BrMolecular Processing
Molecular formula
C8H7BrO2
Molecular weight
215.05
Exact mass
213.9629
XLogP
2.46
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
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
3
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
45.84
Supplementary Information
InChIKey: LSRTWJCYIWGKCQ-UHFFFAOYSA-N
동의어
2-Bromo-3-methylbenzoic acid53663-39-1DTXSID20370813RefChem:85679DTXCID40321847611-027-82-bromo-3-methyl-benzoic Acid2-Bromo-m-toluic AcidMFCD00079721benzoic acid, 2-bromo-3-methyl-2-Bromo-3-carboxytoluene3-Methyl-2-bromobenzoic acidBenzoic acid, bromo-3-methyl-Fluralaner Impurity 51SCHEMBL9504B995PAC74KLSRTWJCYIWGKCQ-UHFFFAOYSA-NSBB0526152-Bromo-3-methylbenzoic acid, 97%AKOS005259124AC-4387CS-W007601FB38975PS-7945SY005150DB-020605B3636ST50949542EN300-116227F112800
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