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68541-56-0

68541-56-0 | 2-bromophenol; 2-(chloromethyl)oxirane; formaldehyde

CAS No: 68541-56-0 Catalog No: AG005PG1 MDL No:

Product Description

Catalog Number:
AG005PG1
Chemical Name:
2-bromophenol; 2-(chloromethyl)oxirane; formaldehyde
CAS Number:
68541-56-0
Molecular Formula:
C10H12BrClO3
Molecular Weight:
295.5575
IUPAC Name:
2-bromophenol;2-(chloromethyl)oxirane;formaldehyde
InChI:
InChI=1S/C6H5BrO.C3H5ClO.CH2O/c7-5-3-1-2-4-6(5)8;4-1-3-2-5-3;1-2/h1-4,8H;3H,1-2H2;1H2
InChI Key:
VGLYHYZRAOKAKF-UHFFFAOYSA-N
SMILES:
Oc1ccccc1Br.ClCC1CO1.C=O

Properties

Complexity:
115  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.966g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
295.557g/mol
Monoisotopic Mass:
293.966g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

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