AA99250
176504-70-4 | 2-Bromo-6-methylbenzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AA99250
ChemicalName
2-Bromo-6-methylbenzaldehyde
CasNumber
176504-70-4
MolecularFormula
C8H7BrO
MolecularWeight
199.0446
MdlNumber
MFCD18392003
Smiles
O=Cc1c(C)cccc1Br
Complexity
124
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
1
RotatableBondCount
1
Xlogp3
2.4
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CatalogNumber: AA99250
ChemicalName: 2-Bromo-6-methylbenzaldehyde
CasNumber: 176504-70-4
MolecularFormula: C8H7BrO
MolecularWeight: 199.0446
MdlNumber: MFCD18392003
Smiles: O=Cc1c(C)cccc1Br
Complexity: 124
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AA99250
ChemicalName:
2-Bromo-6-methylbenzaldehyde
CasNumber:
176504-70-4
MolecularFormula:
C8H7BrO
MolecularWeight:
199.0446
MdlNumber:
MFCD18392003
Smiles:
O=Cc1c(C)cccc1Br
Complexity:
124
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
2.4
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Smiles: CN(CCCn1cc(c2c1cccc2)C1=C(C(=O)NC1=O)c1c[nH]c2c1cccc2)C.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CN(CCCn1cc(c2c1cccc2)C1=C(C(=O)NC1=O)c1c[nH]c2c1cccc2)C.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: ClCC(c1ccccc1)NC(=O)c1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
ClCC(c1ccccc1)NC(=O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C)C(=O)COC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C)C(=O)COC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__