AB64369
431-34-5 | 3-Bromo-1,1,1-trifluoropropan-2-ol
Manufacturer: A2B Chem
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CatalogNumber
AB64369
ChemicalName
3-Bromo-1,1,1-trifluoropropan-2-ol
CasNumber
431-34-5
MolecularFormula
C3H4BrF3O
MolecularWeight
192.9625
MdlNumber
MFCD00040945
Smiles
BrCC(C(F)(F)F)O
NscNumber
3631
Complexity
71.4
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
1.5
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CatalogNumber: AB64369
ChemicalName: 3-Bromo-1,1,1-trifluoropropan-2-ol
CasNumber: 431-34-5
MolecularFormula: C3H4BrF3O
MolecularWeight: 192.9625
MdlNumber: MFCD00040945
Smiles: BrCC(C(F)(F)F)O
NscNumber: 3631
Complexity: 71.4
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.5
CatalogNumber:
AB64369
ChemicalName:
3-Bromo-1,1,1-trifluoropropan-2-ol
CasNumber:
431-34-5
MolecularFormula:
C3H4BrF3O
MolecularWeight:
192.9625
MdlNumber:
MFCD00040945
Smiles:
BrCC(C(F)(F)F)O
NscNumber:
3631
Complexity:
71.4
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1csc2c1cccc2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1csc2c1cccc2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1n[nH]c2c1cccc2
NscNumber: __
Complexity: 129
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1n[nH]c2c1cccc2
NscNumber:
__
Complexity:
129
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.6
CatalogNumber: AB64373
ChemicalName: 3-Bromo-1h-indazole-5-carbonitrile
CasNumber: 395101-67-4
MolecularFormula: C8H4BrN3
MolecularWeight: 222.0415
MdlNumber: MFCD09263218
Smiles: Brc1n[nH]c2c1cc(cc2)C#N
NscNumber: __
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.3
CatalogNumber:
AB64373
ChemicalName:
3-Bromo-1h-indazole-5-carbonitrile
CasNumber:
395101-67-4
MolecularFormula:
C8H4BrN3
MolecularWeight:
222.0415
MdlNumber:
MFCD09263218
Smiles:
Brc1n[nH]c2c1cc(cc2)C#N
NscNumber:
__
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.3