AB39047
302800-13-1 | 5-Bromo-N-methyl-2-nitroaniline
Manufacturer: A2B Chem
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CatalogNumber
AB39047
ChemicalName
5-Bromo-N-methyl-2-nitroaniline
CasNumber
302800-13-1
MolecularFormula
C7H7BrN2O2
MolecularWeight
231.0467
MdlNumber
MFCD09862513
Smiles
CNc1cc(Br)ccc1[N+](=O)[O-]
Complexity
171
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.9
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CatalogNumber: AB39047
ChemicalName: 5-Bromo-N-methyl-2-nitroaniline
CasNumber: 302800-13-1
MolecularFormula: C7H7BrN2O2
MolecularWeight: 231.0467
MdlNumber: MFCD09862513
Smiles: CNc1cc(Br)ccc1[N+](=O)[O-]
Complexity: 171
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.9
CatalogNumber:
AB39047
ChemicalName:
5-Bromo-N-methyl-2-nitroaniline
CasNumber:
302800-13-1
MolecularFormula:
C7H7BrN2O2
MolecularWeight:
231.0467
MdlNumber:
MFCD09862513
Smiles:
CNc1cc(Br)ccc1[N+](=O)[O-]
Complexity:
171
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.9
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Smiles: O=c1[nH]c2c([nH]1)cc(cc2)C#CCN1CCC(CC1)Cc1ccccc1
Complexity: __
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Smiles:
O=c1[nH]c2c([nH]1)cc(cc2)C#CCN1CCC(CC1)Cc1ccccc1
Complexity:
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Smiles: c1ccc(cc1)c1nnc2c(-c3nonc3CC2)c1
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Smiles:
c1ccc(cc1)c1nnc2c(-c3nonc3CC2)c1
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CC(NCCC#N)CCc1ccccc1
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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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Smiles:
CC(NCCC#N)CCc1ccccc1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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