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823215-15-2 | Benzenamine, 2-bromo-4,5-bis(1-methylethyl)-
CAS No: 823215-15-2 Catalog No: AG004YXE MDL No:
Product Description
Catalog Number:
AG004YXE
Chemical Name:
Benzenamine, 2-bromo-4,5-bis(1-methylethyl)-
CAS Number:
823215-15-2
Molecular Formula:
C12H18BrN
Molecular Weight:
256.1820
IUPAC Name:
2-bromo-4,5-di(propan-2-yl)aniline
InChI:
InChI=1S/C12H18BrN/c1-7(2)9-5-11(13)12(14)6-10(9)8(3)4/h5-8H,14H2,1-4H3
InChI Key:
JGMKESDZZRPNRX-UHFFFAOYSA-N
SMILES:
CC(c1cc(Br)c(cc1C(C)C)N)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.062g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.187g/mol
Monoisotopic Mass:
255.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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