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Home > Bromides > 1369819-64-6
1369819-64-6 | Benzonitrile, 4-bromo-2-(1,1-dimethylethyl)-
CAS No: 1369819-64-6 Catalog No: AG0012MZ MDL No:MFCD28963501
Product Description
Catalog Number:
AG0012MZ
Chemical Name:
Benzonitrile, 4-bromo-2-(1,1-dimethylethyl)-
CAS Number:
1369819-64-6
Molecular Formula:
C11H12BrN
Molecular Weight:
238.1237
MDL Number:
MFCD28963501
IUPAC Name:
4-bromo-2-tert-butylbenzonitrile
InChI:
InChI=1S/C11H12BrN/c1-11(2,3)10-6-9(12)5-4-8(10)7-13/h4-6H,1-3H3
InChI Key:
RFPUYUKQNAQOFM-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1C(C)(C)C)Br
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.128g/mol
Monoisotopic Mass:
237.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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