AD99910
829-02-7 | N,N-Dimethyl 4-bromo-2-nitroaniline
Manufacturer: A2B Chem
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CatalogNumber
AD99910
ChemicalName
N,N-Dimethyl 4-bromo-2-nitroaniline
CasNumber
829-02-7
MolecularFormula
C8H9BrN2O2
MolecularWeight
245.0733
MdlNumber
MFCD12546467
Smiles
Brc1ccc(c(c1)[N+](=O)[O-])N(C)C
Complexity
193
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
2.6
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CatalogNumber: AD99910
ChemicalName: N,N-Dimethyl 4-bromo-2-nitroaniline
CasNumber: 829-02-7
MolecularFormula: C8H9BrN2O2
MolecularWeight: 245.0733
MdlNumber: MFCD12546467
Smiles: Brc1ccc(c(c1)[N+](=O)[O-])N(C)C
Complexity: 193
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 2.6
CatalogNumber:
AD99910
ChemicalName:
N,N-Dimethyl 4-bromo-2-nitroaniline
CasNumber:
829-02-7
MolecularFormula:
C8H9BrN2O2
MolecularWeight:
245.0733
MdlNumber:
MFCD12546467
Smiles:
Brc1ccc(c(c1)[N+](=O)[O-])N(C)C
Complexity:
193
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCN(C(=O)CN(C(=O)[O-])Cc1ccccc1)CC
Complexity: 284
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCN(C(=O)CN(C(=O)[O-])Cc1ccccc1)CC
Complexity:
284
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1c(nc(nc1C(C)C)S(=O)(=O)C)c1ccc(cc1)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1c(nc(nc1C(C)C)S(=O)(=O)C)c1ccc(cc1)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD99925
ChemicalName: 2-Difluoromethylbenzonitrile
CasNumber: 799814-30-5
MolecularFormula: C8H5F2N
MolecularWeight: 153.1288
MdlNumber: MFCD21606585
Smiles: N#Cc1ccccc1C(F)F
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AD99925
ChemicalName:
2-Difluoromethylbenzonitrile
CasNumber:
799814-30-5
MolecularFormula:
C8H5F2N
MolecularWeight:
153.1288
MdlNumber:
MFCD21606585
Smiles:
N#Cc1ccccc1C(F)F
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
2.5