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1780-72-9 | 1H-Pyrazol-3-amine, 4-bromo-5-methyl-
CAS No: 1780-72-9 Catalog No: AG0025PL MDL No:MFCD03412169
Product Description
Catalog Number:
AG0025PL
Chemical Name:
1H-Pyrazol-3-amine, 4-bromo-5-methyl-
CAS Number:
1780-72-9
Molecular Formula:
C4H6BrN3
Molecular Weight:
176.0145
MDL Number:
MFCD03412169
IUPAC Name:
4-bromo-5-methyl-1H-pyrazol-3-amine
InChI:
InChI=1S/C4H6BrN3/c1-2-3(5)4(6)8-7-2/h1H3,(H3,6,7,8)
InChI Key:
WZMBDMWFVPKYCF-UHFFFAOYSA-N
SMILES:
Nc1n[nH]c(c1Br)C
Properties
Complexity:
87.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.975g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.017g/mol
Monoisotopic Mass:
174.975g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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