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28022-44-8

28022-44-8 | Oxirane, 2-(3-bromophenyl)-

CAS No: 28022-44-8 Catalog No: AG000ZG6 MDL No:MFCD01656786

Product Description

Catalog Number:
AG000ZG6
Chemical Name:
Oxirane, 2-(3-bromophenyl)-
CAS Number:
28022-44-8
Molecular Formula:
C8H7BrO
Molecular Weight:
199.0446
MDL Number:
MFCD01656786
IUPAC Name:
2-(3-bromophenyl)oxirane
InChI:
InChI=1S/C8H7BrO/c9-7-3-1-2-6(4-7)8-5-10-8/h1-4,8H,5H2
InChI Key:
YUPLJNGZNHMXGM-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C1CO1

Properties

Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.968g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.047g/mol
Monoisotopic Mass:
197.968g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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