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53104-16-8 | 3-Bromo-N,N,4-trimethylbenzenamine
CAS No: 53104-16-8 Catalog No: AG003ANL MDL No:MFCD14529603
Product Description
Catalog Number:
AG003ANL
Chemical Name:
3-Bromo-N,N,4-trimethylbenzenamine
CAS Number:
53104-16-8
Molecular Formula:
C9H12BrN
Molecular Weight:
214.1023
MDL Number:
MFCD14529603
IUPAC Name:
3-bromo-N,N,4-trimethylaniline
InChI:
InChI=1S/C9H12BrN/c1-7-4-5-8(11(2)3)6-9(7)10/h4-6H,1-3H3
InChI Key:
RNEQCYGENLFWKX-UHFFFAOYSA-N
SMILES:
CN(c1ccc(c(c1)Br)C)C
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.015g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.106g/mol
Monoisotopic Mass:
213.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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