AB75953
704911-47-7 | Methyl 5-bromo-4H-[1,2,4]triazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB75953
ChemicalName
Methyl 5-bromo-4H-[1,2,4]triazole-3-carboxylate
CasNumber
704911-47-7
MolecularFormula
C4H4BrN3O2
MolecularWeight
205.9975
MdlNumber
MFCD14155904
Smiles
COC(=O)c1n[nH]c(n1)Br
Complexity
143
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.2
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CatalogNumber: AB75953
ChemicalName: Methyl 5-bromo-4H-[1,2,4]triazole-3-carboxylate
CasNumber: 704911-47-7
MolecularFormula: C4H4BrN3O2
MolecularWeight: 205.9975
MdlNumber: MFCD14155904
Smiles: COC(=O)c1n[nH]c(n1)Br
Complexity: 143
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.2
CatalogNumber:
AB75953
ChemicalName:
Methyl 5-bromo-4H-[1,2,4]triazole-3-carboxylate
CasNumber:
704911-47-7
MolecularFormula:
C4H4BrN3O2
MolecularWeight:
205.9975
MdlNumber:
MFCD14155904
Smiles:
COC(=O)c1n[nH]c(n1)Br
Complexity:
143
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1nn[nH]c1Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1nn[nH]c1Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB75955
ChemicalName: Methyl 5-bromo-2-(trifluoromethyl)pyridine-4-carboxylate
CasNumber: 1211589-41-1
MolecularFormula: C8H5BrF3NO2
MolecularWeight: 284.03
MdlNumber: MFCD16657895
Smiles: COC(=O)c1cc(ncc1Br)C(F)(F)F
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AB75955
ChemicalName:
Methyl 5-bromo-2-(trifluoromethyl)pyridine-4-carboxylate
CasNumber:
1211589-41-1
MolecularFormula:
C8H5BrF3NO2
MolecularWeight:
284.03
MdlNumber:
MFCD16657895
Smiles:
COC(=O)c1cc(ncc1Br)C(F)(F)F
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc(Br)c(cc1OC)OC
Complexity: 222
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc(Br)c(cc1OC)OC
Complexity:
222
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.4