AG77412
59719-78-7 | 4-tert-Butyl-3-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG77412
ChemicalName
4-tert-Butyl-3-nitrobenzoic acid
CasNumber
59719-78-7
MolecularFormula
C11H13NO4
MolecularWeight
223.22522000000004
MdlNumber
MFCD00100040
Smiles
[O-][N+](=O)c1cc(ccc1C(C)(C)C)C(=O)O
Complexity
289
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.9
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CatalogNumber: AG77412
ChemicalName: 4-tert-Butyl-3-nitrobenzoic acid
CasNumber: 59719-78-7
MolecularFormula: C11H13NO4
MolecularWeight: 223.22522000000004
MdlNumber: MFCD00100040
Smiles: [O-][N+](=O)c1cc(ccc1C(C)(C)C)C(=O)O
Complexity: 289
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AG77412
ChemicalName:
4-tert-Butyl-3-nitrobenzoic acid
CasNumber:
59719-78-7
MolecularFormula:
C11H13NO4
MolecularWeight:
223.22522000000004
MdlNumber:
MFCD00100040
Smiles:
[O-][N+](=O)c1cc(ccc1C(C)(C)C)C(=O)O
Complexity:
289
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1ccc2c(c1)occ(c2=O)c1cnn(c1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1ccc2c(c1)occ(c2=O)c1cnn(c1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N(CCc1ccccc1)CCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N(CCc1ccccc1)CCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG77415
ChemicalName: 3-Methylquinazoline-2,4(1h,3h)-dione
CasNumber: 607-19-2
MolecularFormula: C9H8N2O2
MolecularWeight: 176.172
MdlNumber: MFCD01534101
Smiles: Cn1c(=O)[nH]c2c(c1=O)cccc2
Complexity: 252
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
AG77415
ChemicalName:
3-Methylquinazoline-2,4(1h,3h)-dione
CasNumber:
607-19-2
MolecularFormula:
C9H8N2O2
MolecularWeight:
176.172
MdlNumber:
MFCD01534101
Smiles:
Cn1c(=O)[nH]c2c(c1=O)cccc2
Complexity:
252
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
0.6