AB64478
16582-78-8 | 3-Bromo-4-thiocyanatoaniline
Manufacturer: A2B Chem
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CatalogNumber
AB64478
ChemicalName
3-Bromo-4-thiocyanatoaniline
CasNumber
16582-78-8
MolecularFormula
C7H5BrN2S
MolecularWeight
229.097
MdlNumber
MFCD11855822
Smiles
N#CSc1ccc(cc1Br)N
Complexity
177
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.5
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CatalogNumber: AB64478
ChemicalName: 3-Bromo-4-thiocyanatoaniline
CasNumber: 16582-78-8
MolecularFormula: C7H5BrN2S
MolecularWeight: 229.097
MdlNumber: MFCD11855822
Smiles: N#CSc1ccc(cc1Br)N
Complexity: 177
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AB64478
ChemicalName:
3-Bromo-4-thiocyanatoaniline
CasNumber:
16582-78-8
MolecularFormula:
C7H5BrN2S
MolecularWeight:
229.097
MdlNumber:
MFCD11855822
Smiles:
N#CSc1ccc(cc1Br)N
Complexity:
177
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.5
CatalogNumber: AB64479
ChemicalName: 3-Bromo-5-(1-(2,2-diethoxyethyl)-1H-imidazol-2-yl)pyridine
CasNumber: 941294-55-9
MolecularFormula: C14H18BrN3O2
MolecularWeight: 340.2156
MdlNumber: MFCD09475819
Smiles: CCOC(Cn1ccnc1c1cncc(c1)Br)OCC
Complexity: 277
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 7
Xlogp3: 1.8
CatalogNumber:
AB64479
ChemicalName:
3-Bromo-5-(1-(2,2-diethoxyethyl)-1H-imidazol-2-yl)pyridine
CasNumber:
941294-55-9
MolecularFormula:
C14H18BrN3O2
MolecularWeight:
340.2156
MdlNumber:
MFCD09475819
Smiles:
CCOC(Cn1ccnc1c1cncc(c1)Br)OCC
Complexity:
277
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
7
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClCc1cc(Br)cnc1.Cl
Complexity: 89.1
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCc1cc(Br)cnc1.Cl
Complexity:
89.1
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cc(cc(c1)S(=O)(=O)C)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cc(cc(c1)S(=O)(=O)C)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__