AB75889
475561-89-8 | Methyl 4-fluoro-1H-pyrrole-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB75889
ChemicalName
Methyl 4-fluoro-1H-pyrrole-2-carboxylate
CasNumber
475561-89-8
MolecularFormula
C6H6FNO2
MolecularWeight
143.1157
MdlNumber
MFCD11042594
Smiles
COC(=O)c1cc(c[nH]1)F
Complexity
140
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1
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CatalogNumber: AB75889
ChemicalName: Methyl 4-fluoro-1H-pyrrole-2-carboxylate
CasNumber: 475561-89-8
MolecularFormula: C6H6FNO2
MolecularWeight: 143.1157
MdlNumber: MFCD11042594
Smiles: COC(=O)c1cc(c[nH]1)F
Complexity: 140
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1
CatalogNumber:
AB75889
ChemicalName:
Methyl 4-fluoro-1H-pyrrole-2-carboxylate
CasNumber:
475561-89-8
MolecularFormula:
C6H6FNO2
MolecularWeight:
143.1157
MdlNumber:
MFCD11042594
Smiles:
COC(=O)c1cc(c[nH]1)F
Complexity:
140
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(cc1)c1ccc(cc1)C=O
Complexity: 284
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(cc1)c1ccc(cc1)C=O
Complexity:
284
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.4
CatalogNumber: AB75891
ChemicalName: Methyl 4-formyl-3-nitrobenzoate
CasNumber: 153813-69-5
MolecularFormula: C9H7NO5
MolecularWeight: 209.15558
MdlNumber: MFCD04039968
Smiles: COC(=O)c1ccc(c(c1)[N+](=O)[O-])C=O
Complexity: 272
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 1.1
CatalogNumber:
AB75891
ChemicalName:
Methyl 4-formyl-3-nitrobenzoate
CasNumber:
153813-69-5
MolecularFormula:
C9H7NO5
MolecularWeight:
209.15558
MdlNumber:
MFCD04039968
Smiles:
COC(=O)c1ccc(c(c1)[N+](=O)[O-])C=O
Complexity:
272
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc(O)c2c(c1)scc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc(O)c2c(c1)scc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__