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Home > Bromides > 1238854-13-1
1238854-13-1 | 1H-Pyrazole, 5-(bromomethyl)-3-(4-bromophenyl)-
CAS No: 1238854-13-1 Catalog No: AG000L6W MDL No:MFCD12197321
Product Description
Catalog Number:
AG000L6W
Chemical Name:
1H-Pyrazole, 5-(bromomethyl)-3-(4-bromophenyl)-
CAS Number:
1238854-13-1
Molecular Formula:
C10H8Br2N2
Molecular Weight:
315.9919
MDL Number:
MFCD12197321
IUPAC Name:
5-(bromomethyl)-3-(4-bromophenyl)-1H-pyrazole
InChI:
InChI=1S/C10H8Br2N2/c11-6-9-5-10(14-13-9)7-1-3-8(12)4-2-7/h1-5H,6H2,(H,13,14)
InChI Key:
FGZKXARZJWYBAM-UHFFFAOYSA-N
SMILES:
BrCc1[nH]nc(c1)c1ccc(cc1)Br
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.903g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.996g/mol
Monoisotopic Mass:
313.905g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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