AA79610
157645-54-0 | 4-Bromo-2-nitro-1-thiocyanatobenzene
Manufacturer: A2B Chem
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CatalogNumber
AA79610
ChemicalName
4-Bromo-2-nitro-1-thiocyanatobenzene
CasNumber
157645-54-0
MolecularFormula
C7H3BrN2O2S
MolecularWeight
259.0799
MdlNumber
MFCD12546511
Smiles
N#CSc1ccc(cc1[N+](=O)[O-])Br
Complexity
247
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
1
Xlogp3
3
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CatalogNumber: AA79610
ChemicalName: 4-Bromo-2-nitro-1-thiocyanatobenzene
CasNumber: 157645-54-0
MolecularFormula: C7H3BrN2O2S
MolecularWeight: 259.0799
MdlNumber: MFCD12546511
Smiles: N#CSc1ccc(cc1[N+](=O)[O-])Br
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 3
CatalogNumber:
AA79610
ChemicalName:
4-Bromo-2-nitro-1-thiocyanatobenzene
CasNumber:
157645-54-0
MolecularFormula:
C7H3BrN2O2S
MolecularWeight:
259.0799
MdlNumber:
MFCD12546511
Smiles:
N#CSc1ccc(cc1[N+](=O)[O-])Br
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@@H]1O[C@@H](O)c2c([C@H]1C)c(C)c(c(c2O)C(=O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
C[C@@H]1O[C@@H](O)c2c([C@H]1C)c(C)c(c(c2O)C(=O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccc(o1)Br)N1CCCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(c1ccc(o1)Br)N1CCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccc2c(c1)onc2C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccc2c(c1)onc2C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__