AB44798
85559-46-2 | 4-[3-(Trifluoromethyl)-3h-diazirin-3-yl]benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB44798
ChemicalName
4-[3-(Trifluoromethyl)-3h-diazirin-3-yl]benzoic acid
CasNumber
85559-46-2
MolecularFormula
C9H5F3N2O2
MolecularWeight
230.1434
MdlNumber
MFCD19441381
Smiles
OC(=O)c1ccc(cc1)C1(N=N1)C(F)(F)F
Complexity
326
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.4
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CatalogNumber: AB44798
ChemicalName: 4-[3-(Trifluoromethyl)-3h-diazirin-3-yl]benzoic acid
CasNumber: 85559-46-2
MolecularFormula: C9H5F3N2O2
MolecularWeight: 230.1434
MdlNumber: MFCD19441381
Smiles: OC(=O)c1ccc(cc1)C1(N=N1)C(F)(F)F
Complexity: 326
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AB44798
ChemicalName:
4-[3-(Trifluoromethyl)-3h-diazirin-3-yl]benzoic acid
CasNumber:
85559-46-2
MolecularFormula:
C9H5F3N2O2
MolecularWeight:
230.1434
MdlNumber:
MFCD19441381
Smiles:
OC(=O)c1ccc(cc1)C1(N=N1)C(F)(F)F
Complexity:
326
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(c(c1)C)c1nc(nc(n1)c1ccc(cc1O)O)c1ccc(cc1C)C
Complexity: 527
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 5.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(c(c1)C)c1nc(nc(n1)c1ccc(cc1O)O)c1ccc(cc1C)C
Complexity:
527
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
5.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc(cc1)NCc1[nH]c2c(n1)n(C)c(=O)n(c2=O)C
Complexity: 534
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc(cc1)NCc1[nH]c2c(n1)n(C)c(=O)n(c2=O)C
Complexity:
534
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.7
CatalogNumber: AB44801
ChemicalName: 4'-Chloro-3'-nitroacetophenone
CasNumber: 5465-65-6
MolecularFormula: C8H6ClNO3
MolecularWeight: 199.5911
MdlNumber: MFCD00007083
Smiles: [O-][N+](=O)c1cc(ccc1Cl)C(=O)C
Complexity: 226
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AB44801
ChemicalName:
4'-Chloro-3'-nitroacetophenone
CasNumber:
5465-65-6
MolecularFormula:
C8H6ClNO3
MolecularWeight:
199.5911
MdlNumber:
MFCD00007083
Smiles:
[O-][N+](=O)c1cc(ccc1Cl)C(=O)C
Complexity:
226
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2