AG71628
654-97-7 | 5-Bromo-2-(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG71628
ChemicalName
5-Bromo-2-(trifluoromethyl)benzoic acid
CasNumber
654-97-7
MolecularFormula
C8H4BrF3O2
MolecularWeight
269.0154
MdlNumber
MFCD03819702
Smiles
Brc1ccc(c(c1)C(=O)O)C(F)(F)F
Complexity
229
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3
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CatalogNumber: AG71628
ChemicalName: 5-Bromo-2-(trifluoromethyl)benzoic acid
CasNumber: 654-97-7
MolecularFormula: C8H4BrF3O2
MolecularWeight: 269.0154
MdlNumber: MFCD03819702
Smiles: Brc1ccc(c(c1)C(=O)O)C(F)(F)F
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3
CatalogNumber:
AG71628
ChemicalName:
5-Bromo-2-(trifluoromethyl)benzoic acid
CasNumber:
654-97-7
MolecularFormula:
C8H4BrF3O2
MolecularWeight:
269.0154
MdlNumber:
MFCD03819702
Smiles:
Brc1ccc(c(c1)C(=O)O)C(F)(F)F
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CS/C(=N/C#N)/NCCCC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CS/C(=N/C#N)/NCCCC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG71630
ChemicalName: 3-Amino-1-benzofuran-2-carbonitrile
CasNumber: 62208-67-7
MolecularFormula: C9H6N2O
MolecularWeight: 158.1567
MdlNumber: MFCD06334923
Smiles: N#Cc1oc2c(c1N)cccc2
Complexity: 220
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
AG71630
ChemicalName:
3-Amino-1-benzofuran-2-carbonitrile
CasNumber:
62208-67-7
MolecularFormula:
C9H6N2O
MolecularWeight:
158.1567
MdlNumber:
MFCD06334923
Smiles:
N#Cc1oc2c(c1N)cccc2
Complexity:
220
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C1CCSCN1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C1CCSCN1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__