Home Halogens 4-bromo-2-(isocyanatomethyl)-1-methylbenzene

4-bromo-2-(isocyanatomethyl)-1-methylbenzene

CAS No.:
343314-73-8
Catalog Number:
AG01BBW9
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
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Product Description
Catalog Number:
AG01BBW9
Chemical Name:
4-bromo-2-(isocyanatomethyl)-1-methylbenzene
CAS Number:
343314-73-8
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
MDL Number:
MFCD09038676
IUPAC Name:
4-bromo-2-(isocyanatomethyl)-1-methylbenzene
InChI:
InChI=1S/C9H8BrNO/c1-7-2-3-9(10)4-8(7)5-11-6-12/h2-4H,5H2,1H3
InChI Key:
UYWDHTPVUKMETD-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1CN=C=O)Br
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.979g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.073g/mol
Monoisotopic Mass:
224.979g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties