AA00407
1000341-32-1 | 3-Chloro-5-tert-butylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA00407
ChemicalName
3-Chloro-5-tert-butylbenzoic acid
CasNumber
1000341-32-1
MolecularFormula
C11H13ClO2
MolecularWeight
212.6727
MdlNumber
MFCD09880197
Smiles
Clc1cc(cc(c1)C(C)(C)C)C(=O)O
Complexity
220
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.7
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CatalogNumber: AA00407
ChemicalName: 3-Chloro-5-tert-butylbenzoic acid
CasNumber: 1000341-32-1
MolecularFormula: C11H13ClO2
MolecularWeight: 212.6727
MdlNumber: MFCD09880197
Smiles: Clc1cc(cc(c1)C(C)(C)C)C(=O)O
Complexity: 220
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.7
CatalogNumber:
AA00407
ChemicalName:
3-Chloro-5-tert-butylbenzoic acid
CasNumber:
1000341-32-1
MolecularFormula:
C11H13ClO2
MolecularWeight:
212.6727
MdlNumber:
MFCD09880197
Smiles:
Clc1cc(cc(c1)C(C)(C)C)C(=O)O
Complexity:
220
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1nccc2c1c(C=O)c[nH]2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
COc1nccc2c1c(C=O)c[nH]2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
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MdlNumber: __
Smiles: Brc1cc(cc2c1c(I)n[nH]2)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cc(cc2c1c(I)n[nH]2)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Ic1cc(cc(c1)C(C)(C)C)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Ic1cc(cc(c1)C(C)(C)C)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__