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Home > Bromides > 1138399-31-1
1138399-31-1 | 1H-1,2,4-Triazole, 1-[2-(bromomethyl)phenyl]-
CAS No: 1138399-31-1 Catalog No: AG0009TW MDL No:
Product Description
Catalog Number:
AG0009TW
Chemical Name:
1H-1,2,4-Triazole, 1-[2-(bromomethyl)phenyl]-
CAS Number:
1138399-31-1
Molecular Formula:
C9H8BrN3
Molecular Weight:
238.0839
IUPAC Name:
1-[2-(bromomethyl)phenyl]-1,2,4-triazole
InChI:
InChI=1S/C9H8BrN3/c10-5-8-3-1-2-4-9(8)13-7-11-6-12-13/h1-4,6-7H,5H2
InChI Key:
FZZXGXWOONQRMU-UHFFFAOYSA-N
SMILES:
BrCc1ccccc1n1cncn1
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.99g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.088g/mol
Monoisotopic Mass:
236.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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