AA66683
1483-56-3 | 2-Bromo-5-(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA66683
ChemicalName
2-Bromo-5-(trifluoromethyl)benzoic acid
CasNumber
1483-56-3
MolecularFormula
C8H4BrF3O2
MolecularWeight
269.0154
MdlNumber
MFCD06208253
Smiles
OC(=O)c1cc(ccc1Br)C(F)(F)F
Complexity
229
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3.8
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CatalogNumber: AA66683
ChemicalName: 2-Bromo-5-(trifluoromethyl)benzoic acid
CasNumber: 1483-56-3
MolecularFormula: C8H4BrF3O2
MolecularWeight: 269.0154
MdlNumber: MFCD06208253
Smiles: OC(=O)c1cc(ccc1Br)C(F)(F)F
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.8
CatalogNumber:
AA66683
ChemicalName:
2-Bromo-5-(trifluoromethyl)benzoic acid
CasNumber:
1483-56-3
MolecularFormula:
C8H4BrF3O2
MolecularWeight:
269.0154
MdlNumber:
MFCD06208253
Smiles:
OC(=O)c1cc(ccc1Br)C(F)(F)F
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.8
CatalogNumber: AA66684
ChemicalName: 2-Bromo-5-(trifluoromethyl)benzonitrile
CasNumber: 1483-55-2
MolecularFormula: C8H3BrF3N
MolecularWeight: 250.0153
MdlNumber: MFCD03412187
Smiles: N#Cc1cc(ccc1Br)C(F)(F)F
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.2
CatalogNumber:
AA66684
ChemicalName:
2-Bromo-5-(trifluoromethyl)benzonitrile
CasNumber:
1483-55-2
MolecularFormula:
C8H3BrF3N
MolecularWeight:
250.0153
MdlNumber:
MFCD03412187
Smiles:
N#Cc1cc(ccc1Br)C(F)(F)F
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.2
CatalogNumber: AA66685
ChemicalName: 2-Amino-4-(trifluoromethyl)benzonitrile
CasNumber: 1483-54-1
MolecularFormula: C8H5F3N2
MolecularWeight: 186.13390959999998
MdlNumber: MFCD04974124
Smiles: N#Cc1ccc(cc1N)C(F)(F)F
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 2.7
CatalogNumber:
AA66685
ChemicalName:
2-Amino-4-(trifluoromethyl)benzonitrile
CasNumber:
1483-54-1
MolecularFormula:
C8H5F3N2
MolecularWeight:
186.13390959999998
MdlNumber:
MFCD04974124
Smiles:
N#Cc1ccc(cc1N)C(F)(F)F
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
2.7
CatalogNumber: AA66686
ChemicalName: 2-(Trifluoromethyl)terephthalic acid
CasNumber: 1483-47-2
MolecularFormula: C9H5F3O4
MolecularWeight: 234.1288
MdlNumber: MFCD06208277
Smiles: OC(=O)c1ccc(c(c1)C(F)(F)F)C(=O)O
Complexity: 300
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.9
CatalogNumber:
AA66686
ChemicalName:
2-(Trifluoromethyl)terephthalic acid
CasNumber:
1483-47-2
MolecularFormula:
C9H5F3O4
MolecularWeight:
234.1288
MdlNumber:
MFCD06208277
Smiles:
OC(=O)c1ccc(c(c1)C(F)(F)F)C(=O)O
Complexity:
300
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.9