AB48174
78775-11-8 | 4-Bromo-3-methylbenzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB48174
ChemicalName
4-Bromo-3-methylbenzaldehyde
CasNumber
78775-11-8
MolecularFormula
C8H7BrO
MolecularWeight
199.0446
MdlNumber
MFCD07787170
Smiles
O=Cc1ccc(c(c1)C)Br
Complexity
124
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
1
RotatableBondCount
1
Xlogp3
3.1
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CatalogNumber: AB48174
ChemicalName: 4-Bromo-3-methylbenzaldehyde
CasNumber: 78775-11-8
MolecularFormula: C8H7BrO
MolecularWeight: 199.0446
MdlNumber: MFCD07787170
Smiles: O=Cc1ccc(c(c1)C)Br
Complexity: 124
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: 3.1
CatalogNumber:
AB48174
ChemicalName:
4-Bromo-3-methylbenzaldehyde
CasNumber:
78775-11-8
MolecularFormula:
C8H7BrO
MolecularWeight:
199.0446
MdlNumber:
MFCD07787170
Smiles:
O=Cc1ccc(c(c1)C)Br
Complexity:
124
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(cc1)OC(F)(F)F
Complexity: 219
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(cc1)OC(F)(F)F
Complexity:
219
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOP(=O)(C(=O)c1c(C)cc(cc1C)C)c1ccccc1
Complexity: 416
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOP(=O)(C(=O)c1c(C)cc(cc1C)C)c1ccccc1
Complexity:
416
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.9
CatalogNumber: AB48177
ChemicalName: 4-Nitro-2H-1,2,3-triazole
CasNumber: 84406-63-3
MolecularFormula: C2H2N4O2
MolecularWeight: 114.0629
MdlNumber: MFCD03035233
Smiles: [O-][N+](=O)c1cn[nH]n1
Complexity: 98.7
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 4
RotatableBondCount: __
Xlogp3: -0.2
CatalogNumber:
AB48177
ChemicalName:
4-Nitro-2H-1,2,3-triazole
CasNumber:
84406-63-3
MolecularFormula:
C2H2N4O2
MolecularWeight:
114.0629
MdlNumber:
MFCD03035233
Smiles:
[O-][N+](=O)c1cn[nH]n1
Complexity:
98.7
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
4
RotatableBondCount:
__
Xlogp3:
-0.2