AA93393
175135-49-6 | 4-Acetamido-3-bromobenzotrifluoride
Manufacturer: A2B Chem
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CatalogNumber
AA93393
ChemicalName
4-Acetamido-3-bromobenzotrifluoride
CasNumber
175135-49-6
MolecularFormula
C9H7BrF3NO
MolecularWeight
282.0572
MdlNumber
MFCD03788476
Smiles
CC(=O)Nc1ccc(cc1Br)C(F)(F)F
Complexity
244
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.8
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CatalogNumber: AA93393
ChemicalName: 4-Acetamido-3-bromobenzotrifluoride
CasNumber: 175135-49-6
MolecularFormula: C9H7BrF3NO
MolecularWeight: 282.0572
MdlNumber: MFCD03788476
Smiles: CC(=O)Nc1ccc(cc1Br)C(F)(F)F
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.8
CatalogNumber:
AA93393
ChemicalName:
4-Acetamido-3-bromobenzotrifluoride
CasNumber:
175135-49-6
MolecularFormula:
C9H7BrF3NO
MolecularWeight:
282.0572
MdlNumber:
MFCD03788476
Smiles:
CC(=O)Nc1ccc(cc1Br)C(F)(F)F
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1cccnc1n1c(C)ccc1C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1cccnc1n1c(C)ccc1C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA93395
ChemicalName: O4I1
CasNumber: 175135-47-4
MolecularFormula: C16H15NO2
MolecularWeight: 253.2958
MdlNumber: MFCD00067778
Smiles: N#CCc1ccc(cc1)OCc1ccc(cc1)OC
Complexity: 293
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: 3
CatalogNumber:
AA93395
ChemicalName:
O4I1
CasNumber:
175135-47-4
MolecularFormula:
C16H15NO2
MolecularWeight:
253.2958
MdlNumber:
MFCD00067778
Smiles:
N#CCc1ccc(cc1)OCc1ccc(cc1)OC
Complexity:
293
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1cccnc1Oc1cccc(c1C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1cccnc1Oc1cccc(c1C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__