AB49342
33890-03-8 | 4-Aminobenzene-1,3-dicarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB49342
ChemicalName
4-Aminobenzene-1,3-dicarboxylic acid
CasNumber
33890-03-8
MolecularFormula
C8H7NO4
MolecularWeight
181.1455
MdlNumber
MFCD00102008
Smiles
OC(=O)c1ccc(c(c1)C(=O)O)N
Complexity
228
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
2
Xlogp3
0.5
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CatalogNumber: AB49342
ChemicalName: 4-Aminobenzene-1,3-dicarboxylic acid
CasNumber: 33890-03-8
MolecularFormula: C8H7NO4
MolecularWeight: 181.1455
MdlNumber: MFCD00102008
Smiles: OC(=O)c1ccc(c(c1)C(=O)O)N
Complexity: 228
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: 0.5
CatalogNumber:
AB49342
ChemicalName:
4-Aminobenzene-1,3-dicarboxylic acid
CasNumber:
33890-03-8
MolecularFormula:
C8H7NO4
MolecularWeight:
181.1455
MdlNumber:
MFCD00102008
Smiles:
OC(=O)c1ccc(c(c1)C(=O)O)N
Complexity:
228
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1ccc(c2-c(c1)c(C)cc2)C)C
Complexity: 206
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1ccc(c2-c(c1)c(C)cc2)C)C
Complexity:
206
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.8
CatalogNumber: AB49344
ChemicalName: 5-Bromobenzene-1,3-diamine
CasNumber: 33786-90-2
MolecularFormula: C6H7BrN2
MolecularWeight: 187.0372
MdlNumber: MFCD09036306
Smiles: Nc1cc(N)cc(c1)Br
Complexity: 87.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: 1.3
CatalogNumber:
AB49344
ChemicalName:
5-Bromobenzene-1,3-diamine
CasNumber:
33786-90-2
MolecularFormula:
C6H7BrN2
MolecularWeight:
187.0372
MdlNumber:
MFCD09036306
Smiles:
Nc1cc(N)cc(c1)Br
Complexity:
87.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCc1c[nH]cn1
Complexity: 64.7
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCc1c[nH]cn1
Complexity:
64.7
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.7