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1855907-31-1

1855907-31-1 | 3-(bromomethyl)-1-(propan-2-yl)-1H-pyrazole hydrobromide

CAS No: 1855907-31-1 Catalog No: AG01FI7R MDL No:

Product Description

Catalog Number:
AG01FI7R
Chemical Name:
3-(bromomethyl)-1-(propan-2-yl)-1H-pyrazole hydrobromide
CAS Number:
1855907-31-1
Molecular Formula:
C7H12Br2N2
Molecular Weight:
283.9916
IUPAC Name:
3-(bromomethyl)-1-propan-2-ylpyrazole;hydrobromide
InChI:
InChI=1S/C7H11BrN2.BrH/c1-6(2)10-4-3-7(5-8)9-10;/h3-4,6H,5H2,1-2H3;1H
InChI Key:
HTYIOJMUUOPDSM-UHFFFAOYSA-N
SMILES:
BrCc1ccn(n1)C(C)C.Br

Properties

Complexity:
106  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.935g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
283.995g/mol
Monoisotopic Mass:
281.937g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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