AA31594
1257231-51-8 | Methyl 4-bromo-3-iodobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AA31594
ChemicalName
Methyl 4-bromo-3-iodobenzoate
CasNumber
1257231-51-8
MolecularFormula
C8H6BrIO2
MolecularWeight
340.94051
MdlNumber
MFCD18398802
Smiles
COC(=O)c1ccc(c(c1)I)Br
Complexity
174
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
3.1
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CatalogNumber: AA31594
ChemicalName: Methyl 4-bromo-3-iodobenzoate
CasNumber: 1257231-51-8
MolecularFormula: C8H6BrIO2
MolecularWeight: 340.94051
MdlNumber: MFCD18398802
Smiles: COC(=O)c1ccc(c(c1)I)Br
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AA31594
ChemicalName:
Methyl 4-bromo-3-iodobenzoate
CasNumber:
1257231-51-8
MolecularFormula:
C8H6BrIO2
MolecularWeight:
340.94051
MdlNumber:
MFCD18398802
Smiles:
COC(=O)c1ccc(c(c1)I)Br
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
3.1
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MolecularFormula: __
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Smiles: c1ccc(cc1)C1(c2ccccc2)c2cc3[nH]c4c(c3cc2-c2c1cccc2)cccc4
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
c1ccc(cc1)C1(c2ccccc2)c2cc3[nH]c4c(c3cc2-c2c1cccc2)cccc4
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CC1(C)c2ccccc2-c2c1cc1[nH]c3c(c1c2)cccc3
Complexity: __
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HeavyAtomCount: __
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MolecularFormula:
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Smiles:
CC1(C)c2ccccc2-c2c1cc1[nH]c3c(c1c2)cccc3
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: Brc1ccc2c(c1)c1cc3-c4ccccc4C(c3cc1n2c1ccccc1)(C)C
Complexity: __
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HeavyAtomCount: __
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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:
Brc1ccc2c(c1)c1cc3-c4ccccc4C(c3cc1n2c1ccccc1)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__