AF84215
34545-20-5 | 3-bromo-4-methyl-5-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AF84215
ChemicalName
3-bromo-4-methyl-5-nitrobenzoic acid
CasNumber
34545-20-5
MolecularFormula
C8H6BrNO4
MolecularWeight
260.0415
MdlNumber
MFCD02041260
Smiles
[O-][N+](=O)c1cc(cc(c1C)Br)C(=O)O
Complexity
252
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.2
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CatalogNumber: AF84215
ChemicalName: 3-bromo-4-methyl-5-nitrobenzoic acid
CasNumber: 34545-20-5
MolecularFormula: C8H6BrNO4
MolecularWeight: 260.0415
MdlNumber: MFCD02041260
Smiles: [O-][N+](=O)c1cc(cc(c1C)Br)C(=O)O
Complexity: 252
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.2
CatalogNumber:
AF84215
ChemicalName:
3-bromo-4-methyl-5-nitrobenzoic acid
CasNumber:
34545-20-5
MolecularFormula:
C8H6BrNO4
MolecularWeight:
260.0415
MdlNumber:
MFCD02041260
Smiles:
[O-][N+](=O)c1cc(cc(c1C)Br)C(=O)O
Complexity:
252
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1cccc(c1Cl)Cl)N.Cl
Complexity: 129
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CC(c1cccc(c1Cl)Cl)N.Cl
Complexity:
129
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@@]1(CCN2[C@H](C1)c1cccc3c1[C@H](C2)c1ccccc1CC3)C(C)(C)C.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@@]1(CCN2[C@H](C1)c1cccc3c1[C@H](C2)c1ccccc1CC3)C(C)(C)C.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCN(CCOc1c(I)cc(cc1I)C(=O)c1c(CC(=O)O[C@H](CC)C)oc2c1cccc2)CC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCN(CCOc1c(I)cc(cc1I)C(=O)c1c(CC(=O)O[C@H](CC)C)oc2c1cccc2)CC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__