AC70969
99059-64-0 | 3-Iodo-4-isopropylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AC70969
ChemicalName
3-Iodo-4-isopropylbenzoic acid
CasNumber
99059-64-0
MolecularFormula
C10H11IO2
MolecularWeight
290.0976
MdlNumber
MFCD11110761
Smiles
OC(=O)c1ccc(c(c1)I)C(C)C
Complexity
191
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.2
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CatalogNumber: AC70969
ChemicalName: 3-Iodo-4-isopropylbenzoic acid
CasNumber: 99059-64-0
MolecularFormula: C10H11IO2
MolecularWeight: 290.0976
MdlNumber: MFCD11110761
Smiles: OC(=O)c1ccc(c(c1)I)C(C)C
Complexity: 191
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.2
CatalogNumber:
AC70969
ChemicalName:
3-Iodo-4-isopropylbenzoic acid
CasNumber:
99059-64-0
MolecularFormula:
C10H11IO2
MolecularWeight:
290.0976
MdlNumber:
MFCD11110761
Smiles:
OC(=O)c1ccc(c(c1)I)C(C)C
Complexity:
191
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1cc2c(o1)cccc2)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CC(c1cc2c(o1)cccc2)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCNc1ncnc2c1cc(Br)cc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OCCNc1ncnc2c1cc(Br)cc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NNC(=O)C(Sc1nc2c(s1)cccc2)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NNC(=O)C(Sc1nc2c(s1)cccc2)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__