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Home > Bromides > 1263377-51-0
1263377-51-0 | 3-Bromo-4-iodo-5-methylaniline
CAS No: 1263377-51-0 Catalog No: AG01FF0T MDL No:MFCD18089332
Product Description
Catalog Number:
AG01FF0T
Chemical Name:
3-Bromo-4-iodo-5-methylaniline
CAS Number:
1263377-51-0
Molecular Formula:
C7H7BrIN
Molecular Weight:
311.9457
MDL Number:
MFCD18089332
IUPAC Name:
3-bromo-4-iodo-5-methylaniline
InChI:
InChI=1S/C7H7BrIN/c1-4-2-5(10)3-6(8)7(4)9/h2-3H,10H2,1H3
InChI Key:
XDCQTEGLMYCXRA-UHFFFAOYSA-N
SMILES:
Nc1cc(C)c(c(c1)Br)I
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.881g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.948g/mol
Monoisotopic Mass:
310.881g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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