AA46463
131981-75-4 | (E)-1-Bromo-4-(2-nitroprop-1-en-1-yl)benzene
Manufacturer: A2B Chem
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CatalogNumber
AA46463
ChemicalName
(E)-1-Bromo-4-(2-nitroprop-1-en-1-yl)benzene
CasNumber
131981-75-4
MolecularFormula
C9H8BrNO2
MolecularWeight
242.0693
MdlNumber
MFCD01317591
Smiles
C/C(=C\c1ccc(cc1)Br)/[N+](=O)[O-]
Complexity
214
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
3.2
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CatalogNumber: AA46463
ChemicalName: (E)-1-Bromo-4-(2-nitroprop-1-en-1-yl)benzene
CasNumber: 131981-75-4
MolecularFormula: C9H8BrNO2
MolecularWeight: 242.0693
MdlNumber: MFCD01317591
Smiles: C/C(=C\c1ccc(cc1)Br)/[N+](=O)[O-]
Complexity: 214
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 3.2
CatalogNumber:
AA46463
ChemicalName:
(E)-1-Bromo-4-(2-nitroprop-1-en-1-yl)benzene
CasNumber:
131981-75-4
MolecularFormula:
C9H8BrNO2
MolecularWeight:
242.0693
MdlNumber:
MFCD01317591
Smiles:
C/C(=C\c1ccc(cc1)Br)/[N+](=O)[O-]
Complexity:
214
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1nc(N)nc2c1ccn2[C@@H]1O[C@@H]([C@H]2[C@@H]1OC(O2)(C)C)CO[Si](C(C)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1nc(N)nc2c1ccn2[C@@H]1O[C@@H]([C@H]2[C@@H]1OC(O2)(C)C)CO[Si](C(C)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1cccc(c1)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity: 433
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1cccc(c1)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity:
433
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cc(ccc1O)S(=O)(=O)Nc1ccc(cc1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cc(ccc1O)S(=O)(=O)Nc1ccc(cc1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__