AB53202
55805-10-2 | 4-(Difluoromethyl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB53202
ChemicalName
4-(Difluoromethyl)benzonitrile
CasNumber
55805-10-2
MolecularFormula
C8H5F2N
MolecularWeight
153.1288
MdlNumber
MFCD23843788
Smiles
N#Cc1ccc(cc1)C(F)F
Complexity
162
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
2.3
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CatalogNumber: AB53202
ChemicalName: 4-(Difluoromethyl)benzonitrile
CasNumber: 55805-10-2
MolecularFormula: C8H5F2N
MolecularWeight: 153.1288
MdlNumber: MFCD23843788
Smiles: N#Cc1ccc(cc1)C(F)F
Complexity: 162
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 2.3
CatalogNumber:
AB53202
ChemicalName:
4-(Difluoromethyl)benzonitrile
CasNumber:
55805-10-2
MolecularFormula:
C8H5F2N
MolecularWeight:
153.1288
MdlNumber:
MFCD23843788
Smiles:
N#Cc1ccc(cc1)C(F)F
Complexity:
162
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cn1cc(Br)cnc1=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cn1cc(Br)cnc1=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB53204
ChemicalName: Pentaerythrityl tetrabromide
CasNumber: 3229-00-3
MolecularFormula: C5H8Br4
MolecularWeight: 387.733
MdlNumber: MFCD00000210
Smiles: BrCC(CBr)(CBr)CBr
Complexity: 51.8
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: __
RotatableBondCount: 4
Xlogp3: 3.4
CatalogNumber:
AB53204
ChemicalName:
Pentaerythrityl tetrabromide
CasNumber:
3229-00-3
MolecularFormula:
C5H8Br4
MolecularWeight:
387.733
MdlNumber:
MFCD00000210
Smiles:
BrCC(CBr)(CBr)CBr
Complexity:
51.8
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
__
RotatableBondCount:
4
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCC(=CC1)c1cc(C)c(c(c1)[N+](=O)[O-])N)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCC(=CC1)c1cc(C)c(c(c1)[N+](=O)[O-])N)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__