Home Halogens methyl 3-bromobenzimidate

methyl 3-bromobenzimidate

CAS No.:
785719-23-5
Catalog Number:
AG00G8I3
Molecular Formula:
C8H8BrNO
Molecular Weight:
214.0592
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Product Description
Catalog Number:
AG00G8I3
Chemical Name:
methyl 3-bromobenzimidate
CAS Number:
785719-23-5
Molecular Formula:
C8H8BrNO
Molecular Weight:
214.0592
MDL Number:
MFCD12816074
IUPAC Name:
methyl 3-bromobenzenecarboximidate
InChI:
InChI=1S/C8H8BrNO/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5,10H,1H3
InChI Key:
LRFHACQUFBUNBT-UHFFFAOYSA-N
SMILES:
COC(=N)c1cccc(c1)Br
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.979g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.062g/mol
Monoisotopic Mass:
212.979g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties