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143850-00-4 | 1H-1,2,3-Triazole, 4,5-bis(bromomethyl)-1-phenyl-
CAS No: 143850-00-4 Catalog No: AG001IHL MDL No:
Product Description
Catalog Number:
AG001IHL
Chemical Name:
1H-1,2,3-Triazole, 4,5-bis(bromomethyl)-1-phenyl-
CAS Number:
143850-00-4
Molecular Formula:
C10H9Br2N3
Molecular Weight:
331.0066
IUPAC Name:
4,5-bis(bromomethyl)-1-phenyltriazole
InChI:
InChI=1S/C10H9Br2N3/c11-6-9-10(7-12)15(14-13-9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:
YKFFBISKGMUZET-UHFFFAOYSA-N
SMILES:
BrCc1c(CBr)nnn1c1ccccc1
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.914g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.011g/mol
Monoisotopic Mass:
328.916g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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