AI60070
89642-24-0 | 2-Amino-5-bromo-4-nitro-benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI60070
ChemicalName
2-Amino-5-bromo-4-nitro-benzoic acid
CasNumber
89642-24-0
MolecularFormula
C7H5BrN2O4
MolecularWeight
261.0296
MdlNumber
MFCD00156965
Smiles
OC(=O)c1cc(Br)c(cc1N)[N+](=O)[O-]
Complexity
255
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1.8
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CatalogNumber: AI60070
ChemicalName: 2-Amino-5-bromo-4-nitro-benzoic acid
CasNumber: 89642-24-0
MolecularFormula: C7H5BrN2O4
MolecularWeight: 261.0296
MdlNumber: MFCD00156965
Smiles: OC(=O)c1cc(Br)c(cc1N)[N+](=O)[O-]
Complexity: 255
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AI60070
ChemicalName:
2-Amino-5-bromo-4-nitro-benzoic acid
CasNumber:
89642-24-0
MolecularFormula:
C7H5BrN2O4
MolecularWeight:
261.0296
MdlNumber:
MFCD00156965
Smiles:
OC(=O)c1cc(Br)c(cc1N)[N+](=O)[O-]
Complexity:
255
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.8
CatalogNumber: AI60071
ChemicalName: 4-(3,5-Dimethylphenyl)phenol
CasNumber: 896427-71-7
MolecularFormula: C14H14O
MolecularWeight: 198.2604
MdlNumber: MFCD18312793
Smiles: Oc1ccc(cc1)c1cc(C)cc(c1)C
Complexity: 184
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.9
CatalogNumber:
AI60071
ChemicalName:
4-(3,5-Dimethylphenyl)phenol
CasNumber:
896427-71-7
MolecularFormula:
C14H14O
MolecularWeight:
198.2604
MdlNumber:
MFCD18312793
Smiles:
Oc1ccc(cc1)c1cc(C)cc(c1)C
Complexity:
184
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1c(Cl)nccc1C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1c(Cl)nccc1C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI60073
ChemicalName: 4-[[(1,1-Dimethylethoxy)carbonyl]amino]-1h-pyrazole-3-carboxylic acid
CasNumber: 896466-71-0
MolecularFormula: C9H13N3O4
MolecularWeight: 227.21721999999997
MdlNumber: MFCD17015895
Smiles: O=C(Nc1c[nH]nc1C(=O)O)OC(C)(C)C
Complexity: 287
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 4
Xlogp3: 1.2
CatalogNumber:
AI60073
ChemicalName:
4-[[(1,1-Dimethylethoxy)carbonyl]amino]-1h-pyrazole-3-carboxylic acid
CasNumber:
896466-71-0
MolecularFormula:
C9H13N3O4
MolecularWeight:
227.21721999999997
MdlNumber:
MFCD17015895
Smiles:
O=C(Nc1c[nH]nc1C(=O)O)OC(C)(C)C
Complexity:
287
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
4
Xlogp3:
1.2