AV18788
1356483-75-4 | 5-Bromo-N-cyclopropyl-2-nitroaniline
Manufacturer: A2B Chem
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CatalogNumber
AV18788
ChemicalName
5-Bromo-N-cyclopropyl-2-nitroaniline
CasNumber
1356483-75-4
MolecularFormula
C9H9BrN2O2
MolecularWeight
257.084
MdlNumber
MFCD21193895
Smiles
Brc1ccc(c(c1)NC1CC1)[N+](=O)[O-]
Complexity
227
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.5
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CatalogNumber: AV18788
ChemicalName: 5-Bromo-N-cyclopropyl-2-nitroaniline
CasNumber: 1356483-75-4
MolecularFormula: C9H9BrN2O2
MolecularWeight: 257.084
MdlNumber: MFCD21193895
Smiles: Brc1ccc(c(c1)NC1CC1)[N+](=O)[O-]
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.5
CatalogNumber:
AV18788
ChemicalName:
5-Bromo-N-cyclopropyl-2-nitroaniline
CasNumber:
1356483-75-4
MolecularFormula:
C9H9BrN2O2
MolecularWeight:
257.084
MdlNumber:
MFCD21193895
Smiles:
Brc1ccc(c(c1)NC1CC1)[N+](=O)[O-]
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(OC(C)(C)C)NC[C@@H]1C[C@@H](C1(C)C)C(=O)O
Complexity: 343
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OC(C)(C)C)NC[C@@H]1C[C@@H](C1(C)C)C(=O)O
Complexity:
343
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)/C(=C(C(=O)OCC)/C)/C
Complexity: 227
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)/C(=C(C(=O)OCC)/C)/C
Complexity:
227
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C(c1ccccc1)(N1CCCCC1)C
Complexity: 280
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C(c1ccccc1)(N1CCCCC1)C
Complexity:
280
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.9