AA32870
1197193-34-2 | 4-(Methylsulfonyl)-2-morpholinobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA32870
ChemicalName
4-(Methylsulfonyl)-2-morpholinobenzoic acid
CasNumber
1197193-34-2
MolecularFormula
C12H15NO5S
MolecularWeight
285.3162
MdlNumber
MFCD13191614
Smiles
OC(=O)c1ccc(cc1N1CCOCC1)S(=O)(=O)C
Complexity
424
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.4
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CatalogNumber: AA32870
ChemicalName: 4-(Methylsulfonyl)-2-morpholinobenzoic acid
CasNumber: 1197193-34-2
MolecularFormula: C12H15NO5S
MolecularWeight: 285.3162
MdlNumber: MFCD13191614
Smiles: OC(=O)c1ccc(cc1N1CCOCC1)S(=O)(=O)C
Complexity: 424
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.4
CatalogNumber:
AA32870
ChemicalName:
4-(Methylsulfonyl)-2-morpholinobenzoic acid
CasNumber:
1197193-34-2
MolecularFormula:
C12H15NO5S
MolecularWeight:
285.3162
MdlNumber:
MFCD13191614
Smiles:
OC(=O)c1ccc(cc1N1CCOCC1)S(=O)(=O)C
Complexity:
424
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN1CCN(CC1)c1ccc(cc1Cl)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN1CCN(CC1)c1ccc(cc1Cl)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1ccc(c(c1)N1CCCC1)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1ccc(c(c1)N1CCCC1)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA32873
ChemicalName: Ethyl 5-bromopyrimidine-2-carboxylate
CasNumber: 1197193-30-8
MolecularFormula: C7H7BrN2O2
MolecularWeight: 231.0467
MdlNumber: MFCD12964050
Smiles: CCOC(=O)c1ncc(cn1)Br
Complexity: 158
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 0.4
CatalogNumber:
AA32873
ChemicalName:
Ethyl 5-bromopyrimidine-2-carboxylate
CasNumber:
1197193-30-8
MolecularFormula:
C7H7BrN2O2
MolecularWeight:
231.0467
MdlNumber:
MFCD12964050
Smiles:
CCOC(=O)c1ncc(cn1)Br
Complexity:
158
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
0.4