AD62274
112897-97-9 | Trans-3,4-difluorocinnamic acid
Manufacturer: A2B Chem
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CatalogNumber
AD62274
ChemicalName
Trans-3,4-difluorocinnamic acid
CasNumber
112897-97-9
MolecularFormula
C9H6F2O2
MolecularWeight
184.1395
MdlNumber
MFCD00010320
Smiles
OC(=O)/C=C/c1ccc(c(c1)F)F
Complexity
216
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AD62274
ChemicalName: Trans-3,4-difluorocinnamic acid
CasNumber: 112897-97-9
MolecularFormula: C9H6F2O2
MolecularWeight: 184.1395
MdlNumber: MFCD00010320
Smiles: OC(=O)/C=C/c1ccc(c(c1)F)F
Complexity: 216
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AD62274
ChemicalName:
Trans-3,4-difluorocinnamic acid
CasNumber:
112897-97-9
MolecularFormula:
C9H6F2O2
MolecularWeight:
184.1395
MdlNumber:
MFCD00010320
Smiles:
OC(=O)/C=C/c1ccc(c(c1)F)F
Complexity:
216
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: __
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Smiles: O=CCCO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O=CCCO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
__
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Smiles: COc1cn(c2c1cccc2)S(=O)(=O)c1ccccc1
Complexity: __
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DefinedBondStereocenterCount: __
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HydrogenBondDonorCount: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
COc1cn(c2c1cccc2)S(=O)(=O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cc(ccc1F)S(=O)(=O)N
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cc(ccc1F)S(=O)(=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__