AG00IIPX

950739-21-6 | 3-Bromo-1H-Pyrazol-5-Amine

AG00IIPX

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CAS Number	950739-21-6
Catalog Number	AG00IIPX(AGN-PC-0WA84S)
Chemical Name	3-Bromo-1H-Pyrazol-5-Amine
IUPAC Name	5-bromo-1H-pyrazol-3-amine
InChI	InChI=1S/C3H4BrN3/c4-2-1-3(5)7-6-2/h1H,(H3,5,6,7)
InChI Key	VGBYIGUWAWHQOT-UHFFFAOYSA-N
MDL Number	MFCD18801156
Molecular Formula	C3H4BrN3
Molecular Weight	161.9880
SMILES	NC1=CC(Br)=NN1
Synonyms	3-Bromo-1H-pyrazol-5-amine, 950739-21-6, 5-Bromo-1H-pyrazol-3-amine, 1203705-55-8, 3-Amino-5-bromopyrazole, AK-48862, 5-bromo-2H-pyrazol-3-amine, SCHEMBL461907, 3-Bromo-5-amine-1H-pyrazol, 5-amino-3-bromo-1h-pyrazole, 5-bromo-1H-pyrazole-3-amine, SCHEMBL17627068, CTK8B5555, DTXSID70673028, VGBYIGUWAWHQOT-UHFFFAOYSA-N, QC-94, CS-B0747, ANW-49132, BBL103396, FCH995956, MFCD18801156, RW3294, STL557206, ZINC72202815, AKOS015919769, AKOS015920069, AKOS025394949, GS-3976, SB12057, KS-000000B8, AM807168, BR-48862, BR-80040, SY027745, AB0051975, AJ-119741, AX8212887, TC-137877, 4CH-010479, AK00779261, FT-0686286, FT-0699510, ST24022702, W9724, MFCD22199259 (95%), S-3710, S-3722, C3H4BrN3, ACN-025900,

Complexity	67.2
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.959g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	161.99g/mol
Monoisotopic Mass	160.959g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	54.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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