AA56103
1225532-86-4 | 1-Amino-3,3-difluorocyclobutanecarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA56103
ChemicalName
1-Amino-3,3-difluorocyclobutanecarboxylic acid
CasNumber
1225532-86-4
MolecularFormula
C5H7F2NO2
MolecularWeight
151.1114
MdlNumber
MFCD17480490
Smiles
OC(=O)C1(N)CC(C1)(F)F
Complexity
173
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
-2.4
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CatalogNumber: AA56103
ChemicalName: 1-Amino-3,3-difluorocyclobutanecarboxylic acid
CasNumber: 1225532-86-4
MolecularFormula: C5H7F2NO2
MolecularWeight: 151.1114
MdlNumber: MFCD17480490
Smiles: OC(=O)C1(N)CC(C1)(F)F
Complexity: 173
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: -2.4
CatalogNumber:
AA56103
ChemicalName:
1-Amino-3,3-difluorocyclobutanecarboxylic acid
CasNumber:
1225532-86-4
MolecularFormula:
C5H7F2NO2
MolecularWeight:
151.1114
MdlNumber:
MFCD17480490
Smiles:
OC(=O)C1(N)CC(C1)(F)F
Complexity:
173
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
-2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cccc(c1)c1cncc(c1)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cccc(c1)c1cncc(c1)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COCCCN1CCC(CC1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COCCCN1CCC(CC1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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CatalogNumber: AA56106
ChemicalName: Rigosertib Sodium(Random Configuration)
CasNumber: 1225497-78-8
MolecularFormula: C21H24NNaO8S
MolecularWeight: 473.4719
MdlNumber: MFCD11655911
Smiles: COc1cc(OC)cc(c1C=CS(=O)(=O)Cc1ccc(c(c1)NCC(=O)[O-])OC)OC.[Na+]
Complexity: 684
Covalently-bondedUnitCount: 2
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 1
RotatableBondCount: 11
Xlogp3: __
CatalogNumber:
AA56106
ChemicalName:
Rigosertib Sodium(Random Configuration)
CasNumber:
1225497-78-8
MolecularFormula:
C21H24NNaO8S
MolecularWeight:
473.4719
MdlNumber:
MFCD11655911
Smiles:
COc1cc(OC)cc(c1C=CS(=O)(=O)Cc1ccc(c(c1)NCC(=O)[O-])OC)OC.[Na+]
Complexity:
684
Covalently-bondedUnitCount:
2
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
1
RotatableBondCount:
11
Xlogp3:
__