AE04869
7493-98-3 | 2-Bromo-4-thiocyanatoaniline
Manufacturer: A2B Chem
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CatalogNumber
AE04869
ChemicalName
2-Bromo-4-thiocyanatoaniline
CasNumber
7493-98-3
MolecularFormula
C7H5BrN2S
MolecularWeight
229.097
MdlNumber
MFCD04618254
Smiles
N#CSc1ccc(c(c1)Br)N
Complexity
177
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.5
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CatalogNumber: AE04869
ChemicalName: 2-Bromo-4-thiocyanatoaniline
CasNumber: 7493-98-3
MolecularFormula: C7H5BrN2S
MolecularWeight: 229.097
MdlNumber: MFCD04618254
Smiles: N#CSc1ccc(c(c1)Br)N
Complexity: 177
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AE04869
ChemicalName:
2-Bromo-4-thiocyanatoaniline
CasNumber:
7493-98-3
MolecularFormula:
C7H5BrN2S
MolecularWeight:
229.097
MdlNumber:
MFCD04618254
Smiles:
N#CSc1ccc(c(c1)Br)N
Complexity:
177
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.5
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Smiles: CCCCCCC(=O)OCCCCC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCCCCCC(=O)OCCCCC
Complexity:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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Smiles: CCCCCC(=Cc1ccccc1)COC(=O)CC(C)C
Complexity: __
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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:
CCCCCC(=Cc1ccccc1)COC(=O)CC(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CCCCCCCCCC(=O)OCC=C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CCCCCCCCCC(=O)OCC=C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__