C1=CC2=C(C=C1Br)C=C(O2)C(=O)O
CAS: 10242-11-2
이름: 5-bromo-1-benzofuran-2-carboxylic acid
SMILES: C1=CC2=C(C=C1Br)C=C(O2)C(=O)O

Molecular Processing

Molecular formula
C9H5BrO3
Molecular weight
241.04
Exact mass
239.9422
XLogP
2.89
TPSA
50.44
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
2
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
50.87

Supplementary Information

InChIKey: QKUWZCOVKRUXKX-UHFFFAOYSA-N
동의어
5-BROMO-2-BENZOFURANCARBOXYLIC ACIDRefChem:5331065-Bromobenzofuran-2-carboxylic acid10242-11-25-bromo-1-benzofuran-2-carboxylic acidMFCD000939732-benzofurancarboxylic acid, 5-bromo-5-Bromobenzo[b]furan-2-carboxylic acidCHEMBL17389165-Bromo-benzofuran-2-carboxylic acidF3099-60125-Bromo-2-carboxybenzofuranSCHEMBL2198563SCHEMBL29523120DTXSID20352750QKUWZCOVKRUXKX-UHFFFAOYSA-N5-Bromobenzofuran-2-carboxylicacidSMSSF-0053446ALBB-024355BDBM50345231EBC-03567SBB013025STK319356AKOS000103501MB00634BP-20072SY045625DB-026322ST4131798CS-0062572
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