AB06536
20576-82-3 | 4-(tert-Butoxycarbonyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB06536
ChemicalName
4-(tert-Butoxycarbonyl)benzoic acid
CasNumber
20576-82-3
MolecularFormula
C12H14O4
MolecularWeight
222.2372
MdlNumber
MFCD04037901
Smiles
O=C(c1ccc(cc1)C(=O)O)OC(C)(C)C
Complexity
269
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.3
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CatalogNumber: AB06536
ChemicalName: 4-(tert-Butoxycarbonyl)benzoic acid
CasNumber: 20576-82-3
MolecularFormula: C12H14O4
MolecularWeight: 222.2372
MdlNumber: MFCD04037901
Smiles: O=C(c1ccc(cc1)C(=O)O)OC(C)(C)C
Complexity: 269
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.3
CatalogNumber:
AB06536
ChemicalName:
4-(tert-Butoxycarbonyl)benzoic acid
CasNumber:
20576-82-3
MolecularFormula:
C12H14O4
MolecularWeight:
222.2372
MdlNumber:
MFCD04037901
Smiles:
O=C(c1ccc(cc1)C(=O)O)OC(C)(C)C
Complexity:
269
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1ccc(cc1)NC=C1C(=O)OC(OC1=O)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1ccc(cc1)NC=C1C(=O)OC(OC1=O)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@@H]([C@@H](c1ccc(cc1)OC)C(=O)N[C@@H](C(C)(C)C)C(=O)NC)C(=O)NO
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@@H]([C@@H](c1ccc(cc1)OC)C(=O)N[C@@H](C(C)(C)C)C(=O)NC)C(=O)NO
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCc1ccc(c(c1)F)c1ccc(cc1)c1cc(F)c(c(c1)F)F
Complexity: 395
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 6.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCc1ccc(c(c1)F)c1ccc(cc1)c1cc(F)c(c(c1)F)F
Complexity:
395
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
6.9