AI38962
170856-67-4 | (6-Bromo-isochroman-1-yl)-acetic acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI38962
ChemicalName
(6-Bromo-isochroman-1-yl)-acetic acid ethyl ester
CasNumber
170856-67-4
MolecularFormula
C13H15BrO3
MolecularWeight
299.1604
MdlNumber
MFCD28991745
Smiles
CCOC(=O)CC1OCCc2c1ccc(c2)Br
Complexity
269
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
2.5
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CatalogNumber: AI38962
ChemicalName: (6-Bromo-isochroman-1-yl)-acetic acid ethyl ester
CasNumber: 170856-67-4
MolecularFormula: C13H15BrO3
MolecularWeight: 299.1604
MdlNumber: MFCD28991745
Smiles: CCOC(=O)CC1OCCc2c1ccc(c2)Br
Complexity: 269
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.5
CatalogNumber:
AI38962
ChemicalName:
(6-Bromo-isochroman-1-yl)-acetic acid ethyl ester
CasNumber:
170856-67-4
MolecularFormula:
C13H15BrO3
MolecularWeight:
299.1604
MdlNumber:
MFCD28991745
Smiles:
CCOC(=O)CC1OCCc2c1ccc(c2)Br
Complexity:
269
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.5
CatalogNumber: AI38963
ChemicalName: Doxycycline hydrate
CasNumber: 17086-28-1
MolecularFormula: C22H26N2O9
MolecularWeight: 462.4498
MdlNumber: MFCD00800994
Smiles: CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1[C@@H](O)[C@@H]1[C@@H](C)c3cccc(c3C(=C1C2=O)O)O)O)O)C(=O)N)C.O
Complexity: 956
Covalently-bondedUnitCount: 2
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 10
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AI38963
ChemicalName:
Doxycycline hydrate
CasNumber:
17086-28-1
MolecularFormula:
C22H26N2O9
MolecularWeight:
462.4498
MdlNumber:
MFCD00800994
Smiles:
CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1[C@@H](O)[C@@H]1[C@@H](C)c3cccc(c3C(=C1C2=O)O)O)O)O)C(=O)N)C.O
Complexity:
956
Covalently-bondedUnitCount:
2
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
10
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(cc(c1)C(=O)O)c1ccc(cc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(cc(c1)C(=O)O)c1ccc(cc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)c1csc(n1)CCl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)c1csc(n1)CCl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__