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Home > Bromides > 1379313-90-2
1379313-90-2 | 5-bromo-2-methoxy-4-methylbenzonitrile
CAS No: 1379313-90-2 Catalog No: AG01FN0H MDL No:MFCD11553121
Product Description
Catalog Number:
AG01FN0H
Chemical Name:
5-bromo-2-methoxy-4-methylbenzonitrile
CAS Number:
1379313-90-2
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
MDL Number:
MFCD11553121
IUPAC Name:
5-bromo-2-methoxy-4-methylbenzonitrile
InChI:
InChI=1S/C9H8BrNO/c1-6-3-9(12-2)7(5-11)4-8(6)10/h3-4H,1-2H3
InChI Key:
ZLIYGTPYJSZQAT-UHFFFAOYSA-N
SMILES:
COc1cc(C)c(cc1C#N)Br
Properties
Complexity:
198
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:
1
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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