AI32864
1370600-52-4 | 3-Bromo-5-iodo-2-methyl benzoic acid methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI32864
ChemicalName
3-Bromo-5-iodo-2-methyl benzoic acid methyl ester
CasNumber
1370600-52-4
MolecularFormula
C9H8BrIO2
MolecularWeight
354.9670899999999
MdlNumber
MFCD20526667
Smiles
COC(=O)c1cc(I)cc(c1C)Br
Complexity
198
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
3.5
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CatalogNumber: AI32864
ChemicalName: 3-Bromo-5-iodo-2-methyl benzoic acid methyl ester
CasNumber: 1370600-52-4
MolecularFormula: C9H8BrIO2
MolecularWeight: 354.9670899999999
MdlNumber: MFCD20526667
Smiles: COC(=O)c1cc(I)cc(c1C)Br
Complexity: 198
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 3.5
CatalogNumber:
AI32864
ChemicalName:
3-Bromo-5-iodo-2-methyl benzoic acid methyl ester
CasNumber:
1370600-52-4
MolecularFormula:
C9H8BrIO2
MolecularWeight:
354.9670899999999
MdlNumber:
MFCD20526667
Smiles:
COC(=O)c1cc(I)cc(c1C)Br
Complexity:
198
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc(I)cc(c1CBr)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc(I)cc(c1CBr)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=C(n1ccc2c1ncc(c2)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
O=C(n1ccc2c1ncc(c2)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
__
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Smiles: COc1c(OC)ccc(c1OC)c1[nH]c2c(c1C=O)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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:
COc1c(OC)ccc(c1OC)c1[nH]c2c(c1C=O)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__