AF70661
33704-19-7 | 3-(tert-Butoxycarbonyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AF70661
ChemicalName
3-(tert-Butoxycarbonyl)benzoic acid
CasNumber
33704-19-7
MolecularFormula
C12H14O4
MolecularWeight
222.2372
MdlNumber
MFCD04037899
Smiles
O=C(c1cccc(c1)C(=O)O)OC(C)(C)C
Complexity
277
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.8
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CatalogNumber: AF70661
ChemicalName: 3-(tert-Butoxycarbonyl)benzoic acid
CasNumber: 33704-19-7
MolecularFormula: C12H14O4
MolecularWeight: 222.2372
MdlNumber: MFCD04037899
Smiles: O=C(c1cccc(c1)C(=O)O)OC(C)(C)C
Complexity: 277
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.8
CatalogNumber:
AF70661
ChemicalName:
3-(tert-Butoxycarbonyl)benzoic acid
CasNumber:
33704-19-7
MolecularFormula:
C12H14O4
MolecularWeight:
222.2372
MdlNumber:
MFCD04037899
Smiles:
O=C(c1cccc(c1)C(=O)O)OC(C)(C)C
Complexity:
277
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.8
CatalogNumber: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: Cc1cc(N)n2c(n1)nc(n2)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
Cc1cc(N)n2c(n1)nc(n2)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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ChemicalName: __
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Smiles: Clc1nsc(n1)SCc1c(F)c(F)c(c(c1F)F)F
Complexity: __
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HeavyAtomCount: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
Clc1nsc(n1)SCc1c(F)c(F)c(c(c1F)F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CCCCCCC(C(=O)O)C(=O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
CCCCCCC(C(=O)O)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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