AA72007
1445322-56-4 | Methyl 2-amino-4-bromo-5-chlorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AA72007
ChemicalName
Methyl 2-amino-4-bromo-5-chlorobenzoate
CasNumber
1445322-56-4
MolecularFormula
C8H7BrClNO2
MolecularWeight
264.50368
MdlNumber
MFCD25121752
Smiles
COC(=O)c1cc(Cl)c(cc1N)Br
Complexity
203
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
4
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CatalogNumber: AA72007
ChemicalName: Methyl 2-amino-4-bromo-5-chlorobenzoate
CasNumber: 1445322-56-4
MolecularFormula: C8H7BrClNO2
MolecularWeight: 264.50368
MdlNumber: MFCD25121752
Smiles: COC(=O)c1cc(Cl)c(cc1N)Br
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4
CatalogNumber:
AA72007
ChemicalName:
Methyl 2-amino-4-bromo-5-chlorobenzoate
CasNumber:
1445322-56-4
MolecularFormula:
C8H7BrClNO2
MolecularWeight:
264.50368
MdlNumber:
MFCD25121752
Smiles:
COC(=O)c1cc(Cl)c(cc1N)Br
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@@H]1C[C@@H]2[C@@H](N1)CCCC2.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@@H]1C[C@@H]2[C@@H](N1)CCCC2.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA72009
ChemicalName: (3S)-piperidin-3-ylmethanol
CasNumber: 144539-77-5
MolecularFormula: C6H13NO
MolecularWeight: 115.17351999999998
MdlNumber: MFCD10567175
Smiles: OC[C@H]1CCCNC1
Complexity: 65.5
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: -0.1
CatalogNumber:
AA72009
ChemicalName:
(3S)-piperidin-3-ylmethanol
CasNumber:
144539-77-5
MolecularFormula:
C6H13NO
MolecularWeight:
115.17351999999998
MdlNumber:
MFCD10567175
Smiles:
OC[C@H]1CCCNC1
Complexity:
65.5
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CC(=C)CC1C(=O)[O-])OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CC(=C)CC1C(=O)[O-])OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__