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21906-32-1

21906-32-1 | 3-BROMOPHENYLACETONE

CAS No: 21906-32-1 Catalog No: AG00BBNA MDL No:MFCD00210400

Product Description

Catalog Number:
AG00BBNA
Chemical Name:
3-BROMOPHENYLACETONE
CAS Number:
21906-32-1
Molecular Formula:
C9H9BrO
Molecular Weight:
213.0712
MDL Number:
MFCD00210400
IUPAC Name:
1-(3-bromophenyl)propan-2-one
InChI:
InChI=1S/C9H9BrO/c1-7(11)5-8-3-2-4-9(10)6-8/h2-4,6H,5H2,1H3
InChI Key:
FQIZFAJMBXZVOL-UHFFFAOYSA-N
SMILES:
CC(=O)Cc1cccc(c1)Br

Properties

Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.984g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.074g/mol
Monoisotopic Mass:
211.984g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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