AE84300
16605-99-5 | Methyl biphenyl-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE84300
ChemicalName
Methyl biphenyl-2-carboxylate
CasNumber
16605-99-5
MolecularFormula
C14H12O2
MolecularWeight
212.2439
MdlNumber
MFCD00452250
Smiles
COC(=O)C1=CC=CC=C1C2=CC=CC=C2
Complexity
231
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
3.2
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CatalogNumber: AE84300
ChemicalName: Methyl biphenyl-2-carboxylate
CasNumber: 16605-99-5
MolecularFormula: C14H12O2
MolecularWeight: 212.2439
MdlNumber: MFCD00452250
Smiles: COC(=O)C1=CC=CC=C1C2=CC=CC=C2
Complexity: 231
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 3.2
CatalogNumber:
AE84300
ChemicalName:
Methyl biphenyl-2-carboxylate
CasNumber:
16605-99-5
MolecularFormula:
C14H12O2
MolecularWeight:
212.2439
MdlNumber:
MFCD00452250
Smiles:
COC(=O)C1=CC=CC=C1C2=CC=CC=C2
Complexity:
231
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
3.2
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ChemicalName: __
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MolecularFormula: __
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Smiles: Brc1ccc2c(c1)c(=O)cc(o2)c1cccc(c1)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Brc1ccc2c(c1)c(=O)cc(o2)c1cccc(c1)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: OC(=O)CC1(CC1)CSSCC1(CC1)CC(=O)O
Complexity: __
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HydrogenBondAcceptorCount: __
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Smiles:
OC(=O)CC1(CC1)CSSCC1(CC1)CC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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Smiles: FC(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(F)F.FC(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(F)F.[Ba+2]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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CatalogNumber:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
FC(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(F)F.FC(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(F)F.[Ba+2]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__