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Home > Bromides > 1349716-30-8
1349716-30-8 | 4-Bromo-2,3-dimethylbenzonitrile
CAS No: 1349716-30-8 Catalog No: AG01FENR MDL No:MFCD18917143
Product Description
Catalog Number:
AG01FENR
Chemical Name:
4-Bromo-2,3-dimethylbenzonitrile
CAS Number:
1349716-30-8
Molecular Formula:
C9H8BrN
Molecular Weight:
210.0705
MDL Number:
MFCD18917143
IUPAC Name:
4-bromo-2,3-dimethylbenzonitrile
InChI:
InChI=1S/C9H8BrN/c1-6-7(2)9(10)4-3-8(6)5-11/h3-4H,1-2H3
InChI Key:
BHLPUVCVOAQINJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1C)C)Br
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.984g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.074g/mol
Monoisotopic Mass:
208.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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