AB49870
2199-58-8 | 3,5-Dimethyl-1h-pyrrole-2-carboxaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB49870
ChemicalName
3,5-Dimethyl-1h-pyrrole-2-carboxaldehyde
CasNumber
2199-58-8
MolecularFormula
C7H9NO
MolecularWeight
123.1525
MdlNumber
MFCD00111522
Smiles
O=Cc1[nH]c(cc1C)C
NscNumber
112886
Complexity
114
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.3
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CatalogNumber: AB49870
ChemicalName: 3,5-Dimethyl-1h-pyrrole-2-carboxaldehyde
CasNumber: 2199-58-8
MolecularFormula: C7H9NO
MolecularWeight: 123.1525
MdlNumber: MFCD00111522
Smiles: O=Cc1[nH]c(cc1C)C
NscNumber: 112886
Complexity: 114
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.3
CatalogNumber:
AB49870
ChemicalName:
3,5-Dimethyl-1h-pyrrole-2-carboxaldehyde
CasNumber:
2199-58-8
MolecularFormula:
C7H9NO
MolecularWeight:
123.1525
MdlNumber:
MFCD00111522
Smiles:
O=Cc1[nH]c(cc1C)C
NscNumber:
112886
Complexity:
114
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.3
CatalogNumber: AB49871
ChemicalName: 3-Iodo-4-nitrophenol
CasNumber: 50590-07-3
MolecularFormula: C6H4INO3
MolecularWeight: 265.0053
MdlNumber: MFCD11617270
Smiles: Oc1ccc(c(c1)I)[N+](=O)[O-]
NscNumber: __
Complexity: 158
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 2.8
CatalogNumber:
AB49871
ChemicalName:
3-Iodo-4-nitrophenol
CasNumber:
50590-07-3
MolecularFormula:
C6H4INO3
MolecularWeight:
265.0053
MdlNumber:
MFCD11617270
Smiles:
Oc1ccc(c(c1)I)[N+](=O)[O-]
NscNumber:
__
Complexity:
158
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CC=Cc1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CC=Cc1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc2c(n1)c1ncccc1cc2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc2c(n1)c1ncccc1cc2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__