AB40305
30515-28-7 | 7-Bromoheptanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB40305
ChemicalName
7-Bromoheptanoic acid
CasNumber
30515-28-7
MolecularFormula
C7H13BrO2
MolecularWeight
209.0809
MdlNumber
MFCD00037800
Smiles
BrCCCCCCC(=O)O
Complexity
93.6
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
1
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CatalogNumber: AB40305
ChemicalName: 7-Bromoheptanoic acid
CasNumber: 30515-28-7
MolecularFormula: C7H13BrO2
MolecularWeight: 209.0809
MdlNumber: MFCD00037800
Smiles: BrCCCCCCC(=O)O
Complexity: 93.6
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 1
CatalogNumber:
AB40305
ChemicalName:
7-Bromoheptanoic acid
CasNumber:
30515-28-7
MolecularFormula:
C7H13BrO2
MolecularWeight:
209.0809
MdlNumber:
MFCD00037800
Smiles:
BrCCCCCCC(=O)O
Complexity:
93.6
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccccc1N)NC1CC1
Complexity: 201
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccccc1N)NC1CC1
Complexity:
201
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.1
CatalogNumber: AB40308
ChemicalName: 3-Oxo-3-(3-pyridinyl)propanenitrile
CasNumber: 30510-18-0
MolecularFormula: C8H6N2O
MolecularWeight: 146.146
MdlNumber: MFCD08282797
Smiles: N#CCC(=O)c1cccnc1
Complexity: 192
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 0.3
CatalogNumber:
AB40308
ChemicalName:
3-Oxo-3-(3-pyridinyl)propanenitrile
CasNumber:
30510-18-0
MolecularFormula:
C8H6N2O
MolecularWeight:
146.146
MdlNumber:
MFCD08282797
Smiles:
N#CCC(=O)c1cccnc1
Complexity:
192
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN1CCC(CC1)NCCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN1CCC(CC1)NCCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__