Home Halogens 2-(6-bromobenzo[1,3]dioxol-5-yl)acetonitrile

2-(6-bromobenzo[1,3]dioxol-5-yl)acetonitrile

CAS No.:
5434-50-4
Catalog Number:
AG00DQUG
Molecular Formula:
C9H6BrNO2
Molecular Weight:
240.0534
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Product Description
Catalog Number:
AG00DQUG
Chemical Name:
2-(6-bromobenzo[1,3]dioxol-5-yl)acetonitrile
CAS Number:
5434-50-4
Molecular Formula:
C9H6BrNO2
Molecular Weight:
240.0534
MDL Number:
MFCD13544608
IUPAC Name:
2-(6-bromo-1,3-benzodioxol-5-yl)acetonitrile
InChI:
InChI=1S/C9H6BrNO2/c10-7-4-9-8(12-5-13-9)3-6(7)1-2-11/h3-4H,1,5H2
InChI Key:
LOVANXUAZPZJSN-UHFFFAOYSA-N
SMILES:
N#CCc1cc2OCOc2cc1Br
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.958g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.056g/mol
Monoisotopic Mass:
238.958g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties