AI32952
1373029-07-2 | 5-Amino-4-bromo-2-methylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI32952
ChemicalName
5-Amino-4-bromo-2-methylbenzoic acid
CasNumber
1373029-07-2
MolecularFormula
C8H8BrNO2
MolecularWeight
230.0586
MdlNumber
MFCD23378442
Smiles
OC(=O)c1cc(N)c(cc1C)Br
Complexity
186
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1.8
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CatalogNumber: AI32952
ChemicalName: 5-Amino-4-bromo-2-methylbenzoic acid
CasNumber: 1373029-07-2
MolecularFormula: C8H8BrNO2
MolecularWeight: 230.0586
MdlNumber: MFCD23378442
Smiles: OC(=O)c1cc(N)c(cc1C)Br
Complexity: 186
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AI32952
ChemicalName:
5-Amino-4-bromo-2-methylbenzoic acid
CasNumber:
1373029-07-2
MolecularFormula:
C8H8BrNO2
MolecularWeight:
230.0586
MdlNumber:
MFCD23378442
Smiles:
OC(=O)c1cc(N)c(cc1C)Br
Complexity:
186
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1ccc(cc1Cl)C=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1ccc(cc1Cl)C=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI32954
ChemicalName: Di-tert-butyl 6-methylene-1,4-diazepane-1,4-dicarboxylate
CasNumber: 1373029-10-7
MolecularFormula: C16H28N2O4
MolecularWeight: 312.4045
MdlNumber: MFCD23378506
Smiles: O=C(N1CCN(CC(=C)C1)C(=O)OC(C)(C)C)OC(C)(C)C
Complexity: 406
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 1.8
CatalogNumber:
AI32954
ChemicalName:
Di-tert-butyl 6-methylene-1,4-diazepane-1,4-dicarboxylate
CasNumber:
1373029-10-7
MolecularFormula:
C16H28N2O4
MolecularWeight:
312.4045
MdlNumber:
MFCD23378506
Smiles:
O=C(N1CCN(CC(=C)C1)C(=O)OC(C)(C)C)OC(C)(C)C
Complexity:
406
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN1C(=O)c2c(C1=O)cc(cn2)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN1C(=O)c2c(C1=O)cc(cn2)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__