AC60842
774608-88-7 | Ethyl 5-chloro-1h-1,2,4-triazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AC60842
ChemicalName
Ethyl 5-chloro-1h-1,2,4-triazole-3-carboxylate
CasNumber
774608-88-7
MolecularFormula
C5H6ClN3O2
MolecularWeight
175.57304000000005
MdlNumber
MFCD11040186
Smiles
CCOC(=O)c1n[nH]c(n1)Cl
Complexity
155
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.5
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CatalogNumber: AC60842
ChemicalName: Ethyl 5-chloro-1h-1,2,4-triazole-3-carboxylate
CasNumber: 774608-88-7
MolecularFormula: C5H6ClN3O2
MolecularWeight: 175.57304000000005
MdlNumber: MFCD11040186
Smiles: CCOC(=O)c1n[nH]c(n1)Cl
Complexity: 155
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AC60842
ChemicalName:
Ethyl 5-chloro-1h-1,2,4-triazole-3-carboxylate
CasNumber:
774608-88-7
MolecularFormula:
C5H6ClN3O2
MolecularWeight:
175.57304000000005
MdlNumber:
MFCD11040186
Smiles:
CCOC(=O)c1n[nH]c(n1)Cl
Complexity:
155
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CCC1OCCCO1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CCC1OCCCO1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1c(onc1c1c(Cl)cccc1Cl)C(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1c(onc1c1c(Cl)cccc1Cl)C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AC60847
ChemicalName: 2-Iodo-1-methyl-4-nitrobenzene
CasNumber: 7745-92-8
MolecularFormula: C7H6INO2
MolecularWeight: 263.0325
MdlNumber: MFCD00024329
Smiles: [O-][N+](=O)c1ccc(c(c1)I)C
Complexity: 157
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.2
CatalogNumber:
AC60847
ChemicalName:
2-Iodo-1-methyl-4-nitrobenzene
CasNumber:
7745-92-8
MolecularFormula:
C7H6INO2
MolecularWeight:
263.0325
MdlNumber:
MFCD00024329
Smiles:
[O-][N+](=O)c1ccc(c(c1)I)C
Complexity:
157
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.2