AB52676
215949-57-8 | (4-bromo-3-methylphenyl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AB52676
ChemicalName
(4-bromo-3-methylphenyl)acetic acid
CasNumber
215949-57-8
MolecularFormula
C9H9BrO2
MolecularWeight
229.0706
MdlNumber
MFCD02664811
Smiles
OC(=O)Cc1ccc(c(c1)C)Br
Complexity
170
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.4
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CatalogNumber: AB52676
ChemicalName: (4-bromo-3-methylphenyl)acetic acid
CasNumber: 215949-57-8
MolecularFormula: C9H9BrO2
MolecularWeight: 229.0706
MdlNumber: MFCD02664811
Smiles: OC(=O)Cc1ccc(c(c1)C)Br
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AB52676
ChemicalName:
(4-bromo-3-methylphenyl)acetic acid
CasNumber:
215949-57-8
MolecularFormula:
C9H9BrO2
MolecularWeight:
229.0706
MdlNumber:
MFCD02664811
Smiles:
OC(=O)Cc1ccc(c(c1)C)Br
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClCc1ccccc1CC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCc1ccccc1CC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB52678
ChemicalName: Calcium orotate
CasNumber: 22454-86-0
MolecularFormula: C10H6CaN4O8
MolecularWeight: 350.2546
MdlNumber: MFCD00039119
Smiles: O=c1[nH]c(=O)[nH]c(c1)C(=O)[O-].O=c1[nH]c(=O)[nH]c(c1)C(=O)[O-].[Ca+2]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB52678
ChemicalName:
Calcium orotate
CasNumber:
22454-86-0
MolecularFormula:
C10H6CaN4O8
MolecularWeight:
350.2546
MdlNumber:
MFCD00039119
Smiles:
O=c1[nH]c(=O)[nH]c(c1)C(=O)[O-].O=c1[nH]c(=O)[nH]c(c1)C(=O)[O-].[Ca+2]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)C(c1ccccc1)C(=O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)C(c1ccccc1)C(=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__