AC66495
685126-86-7 | 5-Bromo-2-(trifluoromethoxy)benzyl alcohol
Manufacturer: A2B Chem
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CatalogNumber
AC66495
ChemicalName
5-Bromo-2-(trifluoromethoxy)benzyl alcohol
CasNumber
685126-86-7
MolecularFormula
C8H6BrF3O2
MolecularWeight
271.03124959999997
MdlNumber
MFCD03701031
Smiles
OCc1cc(Br)ccc1OC(F)(F)F
Complexity
186
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.7
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CatalogNumber: AC66495
ChemicalName: 5-Bromo-2-(trifluoromethoxy)benzyl alcohol
CasNumber: 685126-86-7
MolecularFormula: C8H6BrF3O2
MolecularWeight: 271.03124959999997
MdlNumber: MFCD03701031
Smiles: OCc1cc(Br)ccc1OC(F)(F)F
Complexity: 186
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AC66495
ChemicalName:
5-Bromo-2-(trifluoromethoxy)benzyl alcohol
CasNumber:
685126-86-7
MolecularFormula:
C8H6BrF3O2
MolecularWeight:
271.03124959999997
MdlNumber:
MFCD03701031
Smiles:
OCc1cc(Br)ccc1OC(F)(F)F
Complexity:
186
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NNC(=O)CSC1CS(=O)(=O)c2c1ccc(c2)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NNC(=O)CSC1CS(=O)(=O)c2c1ccc(c2)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AC66498
ChemicalName: 7-Bromo-5-nitro-1h-indazole
CasNumber: 685109-10-8
MolecularFormula: C7H4BrN3O2
MolecularWeight: 242.0296
MdlNumber: MFCD03617603
Smiles: [O-][N+](=O)c1cc(Br)c2c(c1)cn[nH]2
Complexity: 220
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 2.5
CatalogNumber:
AC66498
ChemicalName:
7-Bromo-5-nitro-1h-indazole
CasNumber:
685109-10-8
MolecularFormula:
C7H4BrN3O2
MolecularWeight:
242.0296
MdlNumber:
MFCD03617603
Smiles:
[O-][N+](=O)c1cc(Br)c2c(c1)cn[nH]2
Complexity:
220
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C(=C(F)F)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C(=C(F)F)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__