AH21616
67688-82-8 | 4-tert-Butyl-3,5-dinitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AH21616
ChemicalName
4-tert-Butyl-3,5-dinitrobenzoic acid
CasNumber
67688-82-8
MolecularFormula
C11H12N2O6
MolecularWeight
268.2228
MdlNumber
MFCD20529168
Smiles
[O-][N+](=O)c1cc(cc(c1C(C)(C)C)[N+](=O)[O-])C(=O)O
Complexity
368
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.6
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CatalogNumber: AH21616
ChemicalName: 4-tert-Butyl-3,5-dinitrobenzoic acid
CasNumber: 67688-82-8
MolecularFormula: C11H12N2O6
MolecularWeight: 268.2228
MdlNumber: MFCD20529168
Smiles: [O-][N+](=O)c1cc(cc(c1C(C)(C)C)[N+](=O)[O-])C(=O)O
Complexity: 368
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AH21616
ChemicalName:
4-tert-Butyl-3,5-dinitrobenzoic acid
CasNumber:
67688-82-8
MolecularFormula:
C11H12N2O6
MolecularWeight:
268.2228
MdlNumber:
MFCD20529168
Smiles:
[O-][N+](=O)c1cc(cc(c1C(C)(C)C)[N+](=O)[O-])C(=O)O
Complexity:
368
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.6
CatalogNumber: AH21617
ChemicalName: 1-tert-Butyl-1,2,3-benzotriazole-5-carboxylic acid
CasNumber: 691363-24-3
MolecularFormula: C11H13N3O2
MolecularWeight: 219.2398
MdlNumber: MFCD09031738
Smiles: OC(=O)c1ccc2c(c1)nnn2C(C)(C)C
Complexity: 287
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.5
CatalogNumber:
AH21617
ChemicalName:
1-tert-Butyl-1,2,3-benzotriazole-5-carboxylic acid
CasNumber:
691363-24-3
MolecularFormula:
C11H13N3O2
MolecularWeight:
219.2398
MdlNumber:
MFCD09031738
Smiles:
OC(=O)c1ccc2c(c1)nnn2C(C)(C)C
Complexity:
287
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.5
CatalogNumber: AH21618
ChemicalName: Diphenyl 1-(Cbz-Amino)-2-phenylethanephosphonate
CasNumber: 73270-46-9
MolecularFormula: C28H26NO5P
MolecularWeight: 487.4835
MdlNumber: MFCD03158922
Smiles: O=C(NC(P(=O)(Oc1ccccc1)Oc1ccccc1)Cc1ccccc1)OCc1ccccc1
Complexity: 640
Covalently-bondedUnitCount: 1
HeavyAtomCount: 35
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 11
Xlogp3: 6.4
CatalogNumber:
AH21618
ChemicalName:
Diphenyl 1-(Cbz-Amino)-2-phenylethanephosphonate
CasNumber:
73270-46-9
MolecularFormula:
C28H26NO5P
MolecularWeight:
487.4835
MdlNumber:
MFCD03158922
Smiles:
O=C(NC(P(=O)(Oc1ccccc1)Oc1ccccc1)Cc1ccccc1)OCc1ccccc1
Complexity:
640
Covalently-bondedUnitCount:
1
HeavyAtomCount:
35
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
11
Xlogp3:
6.4
CatalogNumber: AH21619
ChemicalName: 1-Propyl-1,2,3-benzotriazole-5-carboxylic acid
CasNumber: 691363-12-9
MolecularFormula: C10H11N3O2
MolecularWeight: 205.2132
MdlNumber: MFCD09031745
Smiles: CCCn1nnc2c1ccc(c2)C(=O)O
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.7
CatalogNumber:
AH21619
ChemicalName:
1-Propyl-1,2,3-benzotriazole-5-carboxylic acid
CasNumber:
691363-12-9
MolecularFormula:
C10H11N3O2
MolecularWeight:
205.2132
MdlNumber:
MFCD09031745
Smiles:
CCCn1nnc2c1ccc(c2)C(=O)O
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.7