Home Nitriles 4-DibroMoMethyl-3-Methoxybenzonitrile

4-DibroMoMethyl-3-Methoxybenzonitrile

CAS No.:
914106-35-7
Catalog Number:
AG00H2SR
Molecular Formula:
C9H7Br2NO
Molecular Weight:
304.9660
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Product Description
Catalog Number:
AG00H2SR
Chemical Name:
4-DibroMoMethyl-3-Methoxybenzonitrile
CAS Number:
914106-35-7
Molecular Formula:
C9H7Br2NO
Molecular Weight:
304.9660
MDL Number:
MFCD25968869
IUPAC Name:
4-(dibromomethyl)-3-methoxybenzonitrile
InChI:
InChI=1S/C9H7Br2NO/c1-13-8-4-6(5-12)2-3-7(8)9(10)11/h2-4,9H,1H3
InChI Key:
FBRXOMHTCUKJMI-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)ccc1C(Br)Br
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.887g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.969g/mol
Monoisotopic Mass:
302.889g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties