AG69767
5737-85-9 | 4-(3-Nitrophenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG69767
ChemicalName
4-(3-Nitrophenyl)benzoic acid
CasNumber
5737-85-9
MolecularFormula
C13H9NO4
MolecularWeight
243.2149
MdlNumber
MFCD01846432
Smiles
[O-][N+](=O)c1cccc(c1)c1ccc(cc1)C(=O)O
Complexity
317
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.4
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CatalogNumber: AG69767
ChemicalName: 4-(3-Nitrophenyl)benzoic acid
CasNumber: 5737-85-9
MolecularFormula: C13H9NO4
MolecularWeight: 243.2149
MdlNumber: MFCD01846432
Smiles: [O-][N+](=O)c1cccc(c1)c1ccc(cc1)C(=O)O
Complexity: 317
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.4
CatalogNumber:
AG69767
ChemicalName:
4-(3-Nitrophenyl)benzoic acid
CasNumber:
5737-85-9
MolecularFormula:
C13H9NO4
MolecularWeight:
243.2149
MdlNumber:
MFCD01846432
Smiles:
[O-][N+](=O)c1cccc(c1)c1ccc(cc1)C(=O)O
Complexity:
317
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(COc1ccc(cc1)N)(F)F
Complexity: 152
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(COc1ccc(cc1)N)(F)F
Complexity:
152
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cc(Br)c(c(c1)Br)S
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cc(Br)c(c(c1)Br)S
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C1(CC)CCN(CC1)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C1(CC)CCN(CC1)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__