AA45491
129644-56-0 | 2-Nitro-4-(trifluoromethoxy)phenol
Manufacturer: A2B Chem
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CatalogNumber
AA45491
ChemicalName
2-Nitro-4-(trifluoromethoxy)phenol
CasNumber
129644-56-0
MolecularFormula
C7H4F3NO4
MolecularWeight
223.1062
MdlNumber
MFCD03094188
Smiles
[O-][N+](=O)c1cc(ccc1O)OC(F)(F)F
Complexity
239
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3.2
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CatalogNumber: AA45491
ChemicalName: 2-Nitro-4-(trifluoromethoxy)phenol
CasNumber: 129644-56-0
MolecularFormula: C7H4F3NO4
MolecularWeight: 223.1062
MdlNumber: MFCD03094188
Smiles: [O-][N+](=O)c1cc(ccc1O)OC(F)(F)F
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.2
CatalogNumber:
AA45491
ChemicalName:
2-Nitro-4-(trifluoromethoxy)phenol
CasNumber:
129644-56-0
MolecularFormula:
C7H4F3NO4
MolecularWeight:
223.1062
MdlNumber:
MFCD03094188
Smiles:
[O-][N+](=O)c1cc(ccc1O)OC(F)(F)F
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc(c(c1)Cl)Oc1ccc(cc1)C(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc(c(c1)Cl)Oc1ccc(cc1)C(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA45495
ChemicalName: Abafungin
CasNumber: 129639-79-8
MolecularFormula: C21H22N4OS
MolecularWeight: 378.4906
MdlNumber: MFCD00942263
Smiles: Cc1ccc(c(c1)C)Oc1ccccc1c1csc(n1)NC1=NCCCN1
Complexity: 516
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 4.3
CatalogNumber:
AA45495
ChemicalName:
Abafungin
CasNumber:
129639-79-8
MolecularFormula:
C21H22N4OS
MolecularWeight:
378.4906
MdlNumber:
MFCD00942263
Smiles:
Cc1ccc(c(c1)C)Oc1ccccc1c1csc(n1)NC1=NCCCN1
Complexity:
516
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
4.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCCCCCCc1ccccc1N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCCCCCCCc1ccccc1N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__