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

4-bromo-2-isocyanato-1-methoxybenzene

CAS No.:
900574-83-6
Catalog Number:
AG01B323
Molecular Formula:
C8H6BrNO2
Molecular Weight:
228.0427
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Product Description
Catalog Number:
AG01B323
Chemical Name:
4-bromo-2-isocyanato-1-methoxybenzene
CAS Number:
900574-83-6
Molecular Formula:
C8H6BrNO2
Molecular Weight:
228.0427
MDL Number:
MFCD18269791
IUPAC Name:
4-bromo-2-isocyanato-1-methoxybenzene
InChI:
InChI=1S/C8H6BrNO2/c1-12-8-3-2-6(9)4-7(8)10-5-11/h2-4H,1H3
InChI Key:
JETIPBCSRYCACD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1N=C=O)Br
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.958g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.045g/mol
Monoisotopic Mass:
226.958g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties