AA61754
13991-36-1 | 4-Bromocrotonic acid
Manufacturer: A2B Chem
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CatalogNumber
AA61754
ChemicalName
4-Bromocrotonic acid
CasNumber
13991-36-1
MolecularFormula
C4H5BrO2
MolecularWeight
164.9853
MdlNumber
MFCD00082701
Smiles
BrC/C=C/C(=O)O
Complexity
87.7
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
7
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.8
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CatalogNumber: AA61754
ChemicalName: 4-Bromocrotonic acid
CasNumber: 13991-36-1
MolecularFormula: C4H5BrO2
MolecularWeight: 164.9853
MdlNumber: MFCD00082701
Smiles: BrC/C=C/C(=O)O
Complexity: 87.7
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.8
CatalogNumber:
AA61754
ChemicalName:
4-Bromocrotonic acid
CasNumber:
13991-36-1
MolecularFormula:
C4H5BrO2
MolecularWeight:
164.9853
MdlNumber:
MFCD00082701
Smiles:
BrC/C=C/C(=O)O
Complexity:
87.7
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.8
CatalogNumber: AA61755
ChemicalName: 1,2-Bis(diphenylphosphino)benzene
CasNumber: 13991-08-7
MolecularFormula: C30H24P2
MolecularWeight: 446.4590820000001
MdlNumber: MFCD00014081
Smiles: c1ccc(c(c1)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
Complexity: 439
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 32
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: 6
Xlogp3: 7.3
CatalogNumber:
AA61755
ChemicalName:
1,2-Bis(diphenylphosphino)benzene
CasNumber:
13991-08-7
MolecularFormula:
C30H24P2
MolecularWeight:
446.4590820000001
MdlNumber:
MFCD00014081
Smiles:
c1ccc(c(c1)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
Complexity:
439
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
6
Xlogp3:
7.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCn1cnc2c1c(=O)[nH]c(=O)n2Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCn1cnc2c1c(=O)[nH]c(=O)n2Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1OC(c2c1c1ccccc1[nH]2)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1OC(c2c1c1ccccc1[nH]2)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__