AI40682
1820684-58-9 | 3-Amino-5-bromo-4-(propylamino)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI40682
ChemicalName
3-Amino-5-bromo-4-(propylamino)benzonitrile
CasNumber
1820684-58-9
MolecularFormula
C10H12BrN3
MolecularWeight
254.1264
MdlNumber
MFCD26383430
Smiles
CCCNc1c(N)cc(cc1Br)C#N
Complexity
223
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
2.5
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CatalogNumber: AI40682
ChemicalName: 3-Amino-5-bromo-4-(propylamino)benzonitrile
CasNumber: 1820684-58-9
MolecularFormula: C10H12BrN3
MolecularWeight: 254.1264
MdlNumber: MFCD26383430
Smiles: CCCNc1c(N)cc(cc1Br)C#N
Complexity: 223
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AI40682
ChemicalName:
3-Amino-5-bromo-4-(propylamino)benzonitrile
CasNumber:
1820684-58-9
MolecularFormula:
C10H12BrN3
MolecularWeight:
254.1264
MdlNumber:
MFCD26383430
Smiles:
CCCNc1c(N)cc(cc1Br)C#N
Complexity:
223
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)Cc1cccc(c1)c1cccc(c1)C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)Cc1cccc(c1)c1cccc(c1)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI40690
ChemicalName: Methyl 5-bromo-2-fluoro-3-methoxybenzoate
CasNumber: 1820684-72-7
MolecularFormula: C9H8BrFO3
MolecularWeight: 263.0604
MdlNumber: MFCD28166412
Smiles: COC(=O)c1cc(Br)cc(c1F)OC
Complexity: 212
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AI40690
ChemicalName:
Methyl 5-bromo-2-fluoro-3-methoxybenzoate
CasNumber:
1820684-72-7
MolecularFormula:
C9H8BrFO3
MolecularWeight:
263.0604
MdlNumber:
MFCD28166412
Smiles:
COC(=O)c1cc(Br)cc(c1F)OC
Complexity:
212
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
2.5
CatalogNumber: AI40691
ChemicalName: 3-(N-BOC-Amino)-6-bromopicoline
CasNumber: 1820684-75-0
MolecularFormula: C11H15BrN2O2
MolecularWeight: 287.153
MdlNumber: MFCD26517249
Smiles: O=C(Nc1ccc(nc1C)Br)OC(C)(C)C
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.8
CatalogNumber:
AI40691
ChemicalName:
3-(N-BOC-Amino)-6-bromopicoline
CasNumber:
1820684-75-0
MolecularFormula:
C11H15BrN2O2
MolecularWeight:
287.153
MdlNumber:
MFCD26517249
Smiles:
O=C(Nc1ccc(nc1C)Br)OC(C)(C)C
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.8