AI40726
1820686-50-7 | 3-Bromo-5-nitro-4-(propylamino)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI40726
ChemicalName
3-Bromo-5-nitro-4-(propylamino)benzonitrile
CasNumber
1820686-50-7
MolecularFormula
C10H10BrN3O2
MolecularWeight
284.1093
MdlNumber
MFCD26383429
Smiles
CCCNc1c(Br)cc(cc1[N+](=O)[O-])C#N
Complexity
296
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.6
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CatalogNumber: AI40726
ChemicalName: 3-Bromo-5-nitro-4-(propylamino)benzonitrile
CasNumber: 1820686-50-7
MolecularFormula: C10H10BrN3O2
MolecularWeight: 284.1093
MdlNumber: MFCD26383429
Smiles: CCCNc1c(Br)cc(cc1[N+](=O)[O-])C#N
Complexity: 296
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.6
CatalogNumber:
AI40726
ChemicalName:
3-Bromo-5-nitro-4-(propylamino)benzonitrile
CasNumber:
1820686-50-7
MolecularFormula:
C10H10BrN3O2
MolecularWeight:
284.1093
MdlNumber:
MFCD26383429
Smiles:
CCCNc1c(Br)cc(cc1[N+](=O)[O-])C#N
Complexity:
296
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1ccc(cc1)c1onc(c1)C(=O)OCC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1ccc(cc1)c1onc(c1)C(=O)OCC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI40728
ChemicalName: N-Butyl-N-(2-cyanophenyl)methanesulfonamide
CasNumber: 1820686-52-9
MolecularFormula: C12H16N2O2S
MolecularWeight: 252.3326
MdlNumber: MFCD28127189
Smiles: CCCCN(S(=O)(=O)C)c1ccccc1C#N
Complexity: 377
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: 2
CatalogNumber:
AI40728
ChemicalName:
N-Butyl-N-(2-cyanophenyl)methanesulfonamide
CasNumber:
1820686-52-9
MolecularFormula:
C12H16N2O2S
MolecularWeight:
252.3326
MdlNumber:
MFCD28127189
Smiles:
CCCCN(S(=O)(=O)C)c1ccccc1C#N
Complexity:
377
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
2
CatalogNumber: AI40730
ChemicalName: Diethyl 2-[(4-bromo-3-methylphenyl)aminomethylidene]malonate
CasNumber: 1820686-69-8
MolecularFormula: C15H18BrNO4
MolecularWeight: 356.2117
MdlNumber: MFCD28101643
Smiles: CCOC(=O)C(=CNc1ccc(c(c1)C)Br)C(=O)OCC
Complexity: 377
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 8
Xlogp3: 4.3
CatalogNumber:
AI40730
ChemicalName:
Diethyl 2-[(4-bromo-3-methylphenyl)aminomethylidene]malonate
CasNumber:
1820686-69-8
MolecularFormula:
C15H18BrNO4
MolecularWeight:
356.2117
MdlNumber:
MFCD28101643
Smiles:
CCOC(=O)C(=CNc1ccc(c(c1)C)Br)C(=O)OCC
Complexity:
377
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
8
Xlogp3:
4.3