AG19789
550998-59-9 | 7-Bromobenzofuran-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AG19789
ChemicalName
7-Bromobenzofuran-2-carboxylic acid
CasNumber
550998-59-9
MolecularFormula
C9H5BrO3
MolecularWeight
241.0382
MdlNumber
MFCD10699647
Smiles
OC(=O)c1cc2c(o1)c(Br)ccc2
Complexity
219
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3.1
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CatalogNumber: AG19789
ChemicalName: 7-Bromobenzofuran-2-carboxylic acid
CasNumber: 550998-59-9
MolecularFormula: C9H5BrO3
MolecularWeight: 241.0382
MdlNumber: MFCD10699647
Smiles: OC(=O)c1cc2c(o1)c(Br)ccc2
Complexity: 219
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.1
CatalogNumber:
AG19789
ChemicalName:
7-Bromobenzofuran-2-carboxylic acid
CasNumber:
550998-59-9
MolecularFormula:
C9H5BrO3
MolecularWeight:
241.0382
MdlNumber:
MFCD10699647
Smiles:
OC(=O)c1cc2c(o1)c(Br)ccc2
Complexity:
219
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.1
CatalogNumber: AG19790
ChemicalName: 2-(Methylamino)-3-cyanopyridine
CasNumber: 52583-87-6
MolecularFormula: C7H7N3
MolecularWeight: 133.1506
MdlNumber: MFCD08689752
Smiles: CNc1ncccc1C#N
Complexity: 146
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.4
CatalogNumber:
AG19790
ChemicalName:
2-(Methylamino)-3-cyanopyridine
CasNumber:
52583-87-6
MolecularFormula:
C7H7N3
MolecularWeight:
133.1506
MdlNumber:
MFCD08689752
Smiles:
CNc1ncccc1C#N
Complexity:
146
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.4
CatalogNumber: AG19791
ChemicalName: 2,6-Dibromo-4-chlorophenol
CasNumber: 5324-13-0
MolecularFormula: C6H3Br2ClO
MolecularWeight: 286.34842000000003
MdlNumber: MFCD00029751
Smiles: Clc1cc(Br)c(c(c1)Br)O
Complexity: 110
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 4.4
CatalogNumber:
AG19791
ChemicalName:
2,6-Dibromo-4-chlorophenol
CasNumber:
5324-13-0
MolecularFormula:
C6H3Br2ClO
MolecularWeight:
286.34842000000003
MdlNumber:
MFCD00029751
Smiles:
Clc1cc(Br)c(c(c1)Br)O
Complexity:
110
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
4.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(C(=O)c1cccnc1Cl)OC
Complexity: 189
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(C(=O)c1cccnc1Cl)OC
Complexity:
189
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.3