AB17152
206548-14-3 | Methyl 2-amino-5-bromo-3-methylbenzenecarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB17152
ChemicalName
Methyl 2-amino-5-bromo-3-methylbenzenecarboxylate
CasNumber
206548-14-3
MolecularFormula
C9H10BrNO2
MolecularWeight
244.0852
MdlNumber
MFCD06797379
Smiles
COC(=O)c1cc(Br)cc(c1N)C
Complexity
198
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.7
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CatalogNumber: AB17152
ChemicalName: Methyl 2-amino-5-bromo-3-methylbenzenecarboxylate
CasNumber: 206548-14-3
MolecularFormula: C9H10BrNO2
MolecularWeight: 244.0852
MdlNumber: MFCD06797379
Smiles: COC(=O)c1cc(Br)cc(c1N)C
Complexity: 198
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AB17152
ChemicalName:
Methyl 2-amino-5-bromo-3-methylbenzenecarboxylate
CasNumber:
206548-14-3
MolecularFormula:
C9H10BrNO2
MolecularWeight:
244.0852
MdlNumber:
MFCD06797379
Smiles:
COC(=O)c1cc(Br)cc(c1N)C
Complexity:
198
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.7
CatalogNumber: AB17155
ChemicalName: Ethyl 3-(4-cyanophenyl)acrylate
CasNumber: 20655-58-7
MolecularFormula: C12H11NO2
MolecularWeight: 201.2212
MdlNumber: MFCD09038523
Smiles: CCOC(=O)C=Cc1ccc(cc1)C#N
Complexity: 279
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 2.7
CatalogNumber:
AB17155
ChemicalName:
Ethyl 3-(4-cyanophenyl)acrylate
CasNumber:
20655-58-7
MolecularFormula:
C12H11NO2
MolecularWeight:
201.2212
MdlNumber:
MFCD09038523
Smiles:
CCOC(=O)C=Cc1ccc(cc1)C#N
Complexity:
279
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N[C@@H](C(=O)O)CN(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N[C@@H](C(=O)O)CN(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(Oc1ccc(cc1)C=C[N+](=O)[O-])(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(Oc1ccc(cc1)C=C[N+](=O)[O-])(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__