Home Halogens 4-bromo-2-isocyanato-1-methylbenzene

4-bromo-2-isocyanato-1-methylbenzene

CAS No.:
74738-34-4
Catalog Number:
AG01A625
Molecular Formula:
C8H6BrNO
Molecular Weight:
212.0433
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Product Description
Catalog Number:
AG01A625
Chemical Name:
4-bromo-2-isocyanato-1-methylbenzene
CAS Number:
74738-34-4
Molecular Formula:
C8H6BrNO
Molecular Weight:
212.0433
MDL Number:
MFCD18269692
IUPAC Name:
4-bromo-2-isocyanato-1-methylbenzene
InChI:
InChI=1S/C8H6BrNO/c1-6-2-3-7(9)4-8(6)10-5-11/h2-4H,1H3
InChI Key:
VWNWDXOGBBIMGJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1N=C=O)Br
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.963g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.046g/mol
Monoisotopic Mass:
210.963g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties