CAS: 161796-10-7
名称: 3-bromo-5-methoxycarbonylbenzoic acid
SMILES:
COC(=O)C1=CC(=CC(=C1)C(=O)O)BrMolecular Processing
Molecular formula
C9H7BrO4
Molecular weight
259.05
Exact mass
257.9528
XLogP
1.93
TPSA
63.6
H-bond donors
1
H-bond acceptors
3
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
5
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
52.44
Supplementary Information
InChIKey: QIXJVAGZPJKDGY-UHFFFAOYSA-N
同義語
3-Bromo-5-(methoxycarbonyl)benzoic acid161796-10-7DTXSID10626694RefChem:277515DTXCID80577447837-940-33-(Methoxycarbonyl)-5-bromobenzoic acidMFCD067975983-bromo-5-methoxycarbonylbenzoic acidMethyl 5-bromoisophthalic acid3-Bromo-5-methoxycarbonyl-benzoic acidSCHEMBL1068820QIXJVAGZPJKDGY-UHFFFAOYSA-NAKOS005216350AB29698CS-W003344AS-18140SY025935EN300-1103705-BROMO-ISOPHTHALIC ACID MONOMETHYL ESTERF0935001,3-Benzenedicarboxylicacid, 5-bromo-, 1-methyl esterZ1269157732
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