AB52440
53662-85-4 | Methyl tetrahydrofuran-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB52440
ChemicalName
Methyl tetrahydrofuran-3-carboxylate
CasNumber
53662-85-4
MolecularFormula
C6H10O3
MolecularWeight
130.1418
MdlNumber
MFCD06203928
Smiles
COC(=O)C1COCC1
Complexity
111
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
0.1
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CatalogNumber: AB52440
ChemicalName: Methyl tetrahydrofuran-3-carboxylate
CasNumber: 53662-85-4
MolecularFormula: C6H10O3
MolecularWeight: 130.1418
MdlNumber: MFCD06203928
Smiles: COC(=O)C1COCC1
Complexity: 111
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.1
CatalogNumber:
AB52440
ChemicalName:
Methyl tetrahydrofuran-3-carboxylate
CasNumber:
53662-85-4
MolecularFormula:
C6H10O3
MolecularWeight:
130.1418
MdlNumber:
MFCD06203928
Smiles:
COC(=O)C1COCC1
Complexity:
111
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.1
CatalogNumber: AB52441
ChemicalName: 3-Chloro-5-formylbenzonitrile
CasNumber: 1205513-88-7
MolecularFormula: C8H4ClNO
MolecularWeight: 165.5765
MdlNumber: MFCD18392412
Smiles: O=Cc1cc(C#N)cc(c1)Cl
Complexity: 196
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 1.7
CatalogNumber:
AB52441
ChemicalName:
3-Chloro-5-formylbenzonitrile
CasNumber:
1205513-88-7
MolecularFormula:
C8H4ClNO
MolecularWeight:
165.5765
MdlNumber:
MFCD18392412
Smiles:
O=Cc1cc(C#N)cc(c1)Cl
Complexity:
196
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc2c(c1)c1ccccc1n2c1cccc(c1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc2c(c1)c1ccccc1n2c1cccc(c1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB52443
ChemicalName: 3-Bromo-1,5-dimethyl-1h-pyrazole
CasNumber: 5744-80-9
MolecularFormula: C5H7BrN2
MolecularWeight: 175.0265
MdlNumber: MFCD09991542
Smiles: Brc1nn(c(c1)C)C
Complexity: 86.5
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 1
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.7
CatalogNumber:
AB52443
ChemicalName:
3-Bromo-1,5-dimethyl-1h-pyrazole
CasNumber:
5744-80-9
MolecularFormula:
C5H7BrN2
MolecularWeight:
175.0265
MdlNumber:
MFCD09991542
Smiles:
Brc1nn(c(c1)C)C
Complexity:
86.5
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
1
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.7