AE24955
1174005-83-4 | 2-Bromo-5-nitro-4-trifluoromethoxyaniline
Manufacturer: A2B Chem
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CatalogNumber
AE24955
ChemicalName
2-Bromo-5-nitro-4-trifluoromethoxyaniline
CasNumber
1174005-83-4
MolecularFormula
C7H4BrF3N2O3
MolecularWeight
301.0175
MdlNumber
MFCD18783114
Smiles
[O-][N+](=O)c1cc(N)c(cc1OC(F)(F)F)Br
Complexity
271
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.9
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CatalogNumber: AE24955
ChemicalName: 2-Bromo-5-nitro-4-trifluoromethoxyaniline
CasNumber: 1174005-83-4
MolecularFormula: C7H4BrF3N2O3
MolecularWeight: 301.0175
MdlNumber: MFCD18783114
Smiles: [O-][N+](=O)c1cc(N)c(cc1OC(F)(F)F)Br
Complexity: 271
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.9
CatalogNumber:
AE24955
ChemicalName:
2-Bromo-5-nitro-4-trifluoromethoxyaniline
CasNumber:
1174005-83-4
MolecularFormula:
C7H4BrF3N2O3
MolecularWeight:
301.0175
MdlNumber:
MFCD18783114
Smiles:
[O-][N+](=O)c1cc(N)c(cc1OC(F)(F)F)Br
Complexity:
271
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.9
CatalogNumber: AE24956
ChemicalName: 7-Bromo-[1,2,3,4]tetrazolo[1,5-a]pyridine
CasNumber: 1130816-25-9
MolecularFormula: C5H3BrN4
MolecularWeight: 199.0081
MdlNumber: MFCD19684133
Smiles: Brc1ccn2c(c1)nnn2
Complexity: 131
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
AE24956
ChemicalName:
7-Bromo-[1,2,3,4]tetrazolo[1,5-a]pyridine
CasNumber:
1130816-25-9
MolecularFormula:
C5H3BrN4
MolecularWeight:
199.0081
MdlNumber:
MFCD19684133
Smiles:
Brc1ccn2c(c1)nnn2
Complexity:
131
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.6
CatalogNumber: AE24957
ChemicalName: 4-(4-Bromo-2-fluorophenyl)butanenitrile
CasNumber: 1057672-39-5
MolecularFormula: C10H9BrFN
MolecularWeight: 242.0876
MdlNumber: MFCD09744540
Smiles: N#CCCCc1ccc(cc1F)Br
Complexity: 198
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 3
CatalogNumber:
AE24957
ChemicalName:
4-(4-Bromo-2-fluorophenyl)butanenitrile
CasNumber:
1057672-39-5
MolecularFormula:
C10H9BrFN
MolecularWeight:
242.0876
MdlNumber:
MFCD09744540
Smiles:
N#CCCCc1ccc(cc1F)Br
Complexity:
198
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
3
CatalogNumber: AE24958
ChemicalName: 5-(3,5-Dimethylphenyl)nicotinic acid
CasNumber: 1048486-24-3
MolecularFormula: C14H13NO2
MolecularWeight: 227.2585
MdlNumber: MFCD16200850
Smiles: Cc1cc(C)cc(c1)c1cncc(c1)C(=O)O
Complexity: 269
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AE24958
ChemicalName:
5-(3,5-Dimethylphenyl)nicotinic acid
CasNumber:
1048486-24-3
MolecularFormula:
C14H13NO2
MolecularWeight:
227.2585
MdlNumber:
MFCD16200850
Smiles:
Cc1cc(C)cc(c1)c1cncc(c1)C(=O)O
Complexity:
269
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.7