AB47612
104670-74-8 | Methyl 2-amino-3-bromobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB47612
ChemicalName
Methyl 2-amino-3-bromobenzoate
CasNumber
104670-74-8
MolecularFormula
C8H8BrNO2
MolecularWeight
230.0586
MdlNumber
MFCD11042862
Smiles
COC(=O)c1cccc(c1N)Br
Complexity
174
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.6
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CatalogNumber: AB47612
ChemicalName: Methyl 2-amino-3-bromobenzoate
CasNumber: 104670-74-8
MolecularFormula: C8H8BrNO2
MolecularWeight: 230.0586
MdlNumber: MFCD11042862
Smiles: COC(=O)c1cccc(c1N)Br
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AB47612
ChemicalName:
Methyl 2-amino-3-bromobenzoate
CasNumber:
104670-74-8
MolecularFormula:
C8H8BrNO2
MolecularWeight:
230.0586
MdlNumber:
MFCD11042862
Smiles:
COC(=O)c1cccc(c1N)Br
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.6
CatalogNumber: AB47613
ChemicalName: (2R,3R,4R-3-Benzoyloxy-4-fluoro-4-methyl-5-oxotetrahydrofuran-2-yl)methyl benzoate
CasNumber: 874638-80-9
MolecularFormula: C20H17FO6
MolecularWeight: 372.3438
MdlNumber: MFCD17677380
Smiles: O=C(c1ccccc1)OC[C@H]1OC(=O)[C@]([C@@H]1OC(=O)c1ccccc1)(C)F
Complexity: 567
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: __
RotatableBondCount: 7
Xlogp3: 3.7
CatalogNumber:
AB47613
ChemicalName:
(2R,3R,4R-3-Benzoyloxy-4-fluoro-4-methyl-5-oxotetrahydrofuran-2-yl)methyl benzoate
CasNumber:
874638-80-9
MolecularFormula:
C20H17FO6
MolecularWeight:
372.3438
MdlNumber:
MFCD17677380
Smiles:
O=C(c1ccccc1)OC[C@H]1OC(=O)[C@]([C@@H]1OC(=O)c1ccccc1)(C)F
Complexity:
567
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
__
RotatableBondCount:
7
Xlogp3:
3.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCC[N+](CCCNC(=O)OC(C)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCC[N+](CCCNC(=O)OC(C)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCc1ccccc1C(=O)O
Complexity: 143
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCc1ccccc1C(=O)O
Complexity:
143
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.8