AB47782
700-58-3 | 2-Adamantanone
Manufacturer: A2B Chem
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CatalogNumber
AB47782
ChemicalName
2-Adamantanone
CasNumber
700-58-3
MolecularFormula
C10H14O
MolecularWeight
150.2176
MdlNumber
MFCD00074737
Smiles
O=C1C2CC3CC1CC(C2)C3
NscNumber
126345
Complexity
177
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
1
Xlogp3
1.8
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CatalogNumber: AB47782
ChemicalName: 2-Adamantanone
CasNumber: 700-58-3
MolecularFormula: C10H14O
MolecularWeight: 150.2176
MdlNumber: MFCD00074737
Smiles: O=C1C2CC3CC1CC(C2)C3
NscNumber: 126345
Complexity: 177
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
Xlogp3: 1.8
CatalogNumber:
AB47782
ChemicalName:
2-Adamantanone
CasNumber:
700-58-3
MolecularFormula:
C10H14O
MolecularWeight:
150.2176
MdlNumber:
MFCD00074737
Smiles:
O=C1C2CC3CC1CC(C2)C3
NscNumber:
126345
Complexity:
177
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
Xlogp3:
1.8
CatalogNumber: AB47783
ChemicalName: 5-Ethyl-4H-[1,2,4]triazol-3-ylamine
CasNumber: 22819-05-2
MolecularFormula: C4H8N4
MolecularWeight: 112.1331
MdlNumber: MFCD02907685
Smiles: CCc1nc(n[nH]1)N
NscNumber: __
Complexity: 74.4
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
Xlogp3: 0.5
CatalogNumber:
AB47783
ChemicalName:
5-Ethyl-4H-[1,2,4]triazol-3-ylamine
CasNumber:
22819-05-2
MolecularFormula:
C4H8N4
MolecularWeight:
112.1331
MdlNumber:
MFCD02907685
Smiles:
CCc1nc(n[nH]1)N
NscNumber:
__
Complexity:
74.4
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
Xlogp3:
0.5
CatalogNumber: AB47784
ChemicalName: 2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic acid
CasNumber: 142994-06-7
MolecularFormula: C9H7F3O4S
MolecularWeight: 268.2097
MdlNumber: MFCD09037774
Smiles: OC(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F
NscNumber: __
Complexity: 395
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 7
Xlogp3: 1.6
CatalogNumber:
AB47784
ChemicalName:
2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic acid
CasNumber:
142994-06-7
MolecularFormula:
C9H7F3O4S
MolecularWeight:
268.2097
MdlNumber:
MFCD09037774
Smiles:
OC(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F
NscNumber:
__
Complexity:
395
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
7
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(CN(C(=O)OC(C)(C)C)C)OCc1cccnc1NCC(=O)OC(Cl)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(CN(C(=O)OC(C)(C)C)C)OCc1cccnc1NCC(=O)OC(Cl)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__