AD12821
99070-17-4 | 3-Bromo-4-isopropylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AD12821
ChemicalName
3-Bromo-4-isopropylbenzoic acid
CasNumber
99070-17-4
MolecularFormula
C10H11BrO2
MolecularWeight
243.0971
MdlNumber
MFCD11110860
Smiles
OC(=O)c1ccc(c(c1)Br)C(C)C
Complexity
191
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.3
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CatalogNumber: AD12821
ChemicalName: 3-Bromo-4-isopropylbenzoic acid
CasNumber: 99070-17-4
MolecularFormula: C10H11BrO2
MolecularWeight: 243.0971
MdlNumber: MFCD11110860
Smiles: OC(=O)c1ccc(c(c1)Br)C(C)C
Complexity: 191
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AD12821
ChemicalName:
3-Bromo-4-isopropylbenzoic acid
CasNumber:
99070-17-4
MolecularFormula:
C10H11BrO2
MolecularWeight:
243.0971
MdlNumber:
MFCD11110860
Smiles:
OC(=O)c1ccc(c(c1)Br)C(C)C
Complexity:
191
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.3
CatalogNumber: __
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MolecularFormula: __
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Smiles: CC(=O)Oc1cc(ccc1C(Br)Br)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CC(=O)Oc1cc(ccc1C(Br)Br)[N+](=O)[O-]
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: O=c1[nH]c2ccccc2c(n1)C(=O)O
Complexity: __
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Smiles:
O=c1[nH]c2ccccc2c(n1)C(=O)O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCN1CCC(CC1)C(=O)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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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:
CCN1CCC(CC1)C(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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