AC85177
683274-50-2 | N-Isopropyl 4-bromo-2-nitroaniline
Manufacturer: A2B Chem
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CatalogNumber
AC85177
ChemicalName
N-Isopropyl 4-bromo-2-nitroaniline
CasNumber
683274-50-2
MolecularFormula
C9H11BrN2O2
MolecularWeight
259.0998
MdlNumber
MFCD03407977
Smiles
CC(Nc1ccc(cc1[N+](=O)[O-])Br)C
Complexity
206
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.9
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CatalogNumber: AC85177
ChemicalName: N-Isopropyl 4-bromo-2-nitroaniline
CasNumber: 683274-50-2
MolecularFormula: C9H11BrN2O2
MolecularWeight: 259.0998
MdlNumber: MFCD03407977
Smiles: CC(Nc1ccc(cc1[N+](=O)[O-])Br)C
Complexity: 206
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.9
CatalogNumber:
AC85177
ChemicalName:
N-Isopropyl 4-bromo-2-nitroaniline
CasNumber:
683274-50-2
MolecularFormula:
C9H11BrN2O2
MolecularWeight:
259.0998
MdlNumber:
MFCD03407977
Smiles:
CC(Nc1ccc(cc1[N+](=O)[O-])Br)C
Complexity:
206
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.9
CatalogNumber: __
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MolecularFormula: __
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Smiles: CCC=CCC(C=CC1C(O)CC2C1CC(=CCCCCC(=O)[O-])O2)O.[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCC=CCC(C=CC1C(O)CC2C1CC(=CCCCCC(=O)[O-])O2)O.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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MolecularFormula: __
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Smiles: COc1cc(Br)cc(c1O)C=Nc1ccc(cc1)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COc1cc(Br)cc(c1O)C=Nc1ccc(cc1)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: Nc1ccc(nc1N)C(F)(F)F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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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:
Nc1ccc(nc1N)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__