AA88882
16642-79-8 | 3-(4-Nitrophenyl)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA88882
ChemicalName
3-(4-Nitrophenyl)propanoic acid
CasNumber
16642-79-8
MolecularFormula
C9H9NO4
MolecularWeight
195.1721
MdlNumber
MFCD00126834
Smiles
OC(=O)CCc1ccc(cc1)[N+](=O)[O-]
NscNumber
99345
Complexity
215
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.3
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CatalogNumber: AA88882
ChemicalName: 3-(4-Nitrophenyl)propanoic acid
CasNumber: 16642-79-8
MolecularFormula: C9H9NO4
MolecularWeight: 195.1721
MdlNumber: MFCD00126834
Smiles: OC(=O)CCc1ccc(cc1)[N+](=O)[O-]
NscNumber: 99345
Complexity: 215
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.3
CatalogNumber:
AA88882
ChemicalName:
3-(4-Nitrophenyl)propanoic acid
CasNumber:
16642-79-8
MolecularFormula:
C9H9NO4
MolecularWeight:
195.1721
MdlNumber:
MFCD00126834
Smiles:
OC(=O)CCc1ccc(cc1)[N+](=O)[O-]
NscNumber:
99345
Complexity:
215
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.3
CatalogNumber: AA88894
ChemicalName: 2-Fluoro-4-(4-methylphenyl)benzonitrile
CasNumber: 166446-31-7
MolecularFormula: C14H10FN
MolecularWeight: 211.2343
MdlNumber: MFCD22375072
Smiles: N#Cc1ccc(cc1F)c1ccc(cc1)C
NscNumber: __
Complexity: 272
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3.7
CatalogNumber:
AA88894
ChemicalName:
2-Fluoro-4-(4-methylphenyl)benzonitrile
CasNumber:
166446-31-7
MolecularFormula:
C14H10FN
MolecularWeight:
211.2343
MdlNumber:
MFCD22375072
Smiles:
N#Cc1ccc(cc1F)c1ccc(cc1)C
NscNumber:
__
Complexity:
272
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(c1ccc(c(c1)O)C(=O)c1cc(ccc1C(=O)O)[N+](=O)[O-])C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(c1ccc(c(c1)O)C(=O)c1cc(ccc1C(=O)O)[N+](=O)[O-])C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCC(=O)Nc1ccc2c(c1)C1(OC2=O)c2ccc(cc2Oc2c1ccc(c2)N(C)C)N(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCC(=O)Nc1ccc2c(c1)C1(OC2=O)c2ccc(cc2Oc2c1ccc(c2)N(C)C)N(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__