AF36946
212071-00-6 | Methyl 1-tosyl-1h-pyrrole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AF36946
ChemicalName
Methyl 1-tosyl-1h-pyrrole-3-carboxylate
CasNumber
212071-00-6
MolecularFormula
C13H13NO4S
MolecularWeight
279.3116
MdlNumber
MFCD09743411
Smiles
COC(=O)c1ccn(c1)S(=O)(=O)c1ccc(cc1)C
Complexity
420
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
2.1
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CatalogNumber: AF36946
ChemicalName: Methyl 1-tosyl-1h-pyrrole-3-carboxylate
CasNumber: 212071-00-6
MolecularFormula: C13H13NO4S
MolecularWeight: 279.3116
MdlNumber: MFCD09743411
Smiles: COC(=O)c1ccn(c1)S(=O)(=O)c1ccc(cc1)C
Complexity: 420
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 2.1
CatalogNumber:
AF36946
ChemicalName:
Methyl 1-tosyl-1h-pyrrole-3-carboxylate
CasNumber:
212071-00-6
MolecularFormula:
C13H13NO4S
MolecularWeight:
279.3116
MdlNumber:
MFCD09743411
Smiles:
COC(=O)c1ccn(c1)S(=O)(=O)c1ccc(cc1)C
Complexity:
420
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
2.1
CatalogNumber: AF36947
ChemicalName: 4-Nitro-2-(trifluoromethyl)phenylacetic acid
CasNumber: 199469-91-5
MolecularFormula: C9H6F3NO4
MolecularWeight: 249.14344959999997
MdlNumber: MFCD11036389
Smiles: OC(=O)Cc1ccc(cc1C(F)(F)F)N(=O)=O
Complexity: 312
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 7
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AF36947
ChemicalName:
4-Nitro-2-(trifluoromethyl)phenylacetic acid
CasNumber:
199469-91-5
MolecularFormula:
C9H6F3NO4
MolecularWeight:
249.14344959999997
MdlNumber:
MFCD11036389
Smiles:
OC(=O)Cc1ccc(cc1C(F)(F)F)N(=O)=O
Complexity:
312
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
7
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: AF36948
ChemicalName: 2-(Ethylamino)benzonitrile
CasNumber: 30091-24-8
MolecularFormula: C9H10N2
MolecularWeight: 146.1891
MdlNumber: MFCD11144683
Smiles: CCNc1ccccc1C#N
Complexity: 156
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AF36948
ChemicalName:
2-(Ethylamino)benzonitrile
CasNumber:
30091-24-8
MolecularFormula:
C9H10N2
MolecularWeight:
146.1891
MdlNumber:
MFCD11144683
Smiles:
CCNc1ccccc1C#N
Complexity:
156
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
2.5
CatalogNumber: AF36949
ChemicalName: 3-Methoxy-2-nitrophenol
CasNumber: 3114-61-2
MolecularFormula: C7H7NO4
MolecularWeight: 169.13478
MdlNumber: MFCD16876801
Smiles: COc1cccc(c1[N+](=O)[O-])O
Complexity: 167
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 1.3
CatalogNumber:
AF36949
ChemicalName:
3-Methoxy-2-nitrophenol
CasNumber:
3114-61-2
MolecularFormula:
C7H7NO4
MolecularWeight:
169.13478
MdlNumber:
MFCD16876801
Smiles:
COc1cccc(c1[N+](=O)[O-])O
Complexity:
167
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
1.3