AG0017YV

13808-64-5 | 1H-Pyrazole, 4-bromo-3-methyl-

AG0017YV

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CAS Number	13808-64-5
Catalog Number	AG0017YV(AGN-PC-0O1H27)
Chemical Name	1H-Pyrazole, 4-bromo-3-methyl-
EC Number	237-456-7
IUPAC Name	4-bromo-5-methyl-1H-pyrazole
InChI	InChI=1S/C4H5BrN2/c1-3-4(5)2-6-7-3/h2H,1H3,(H,6,7)
InChI Key	IXQPRETWBGVNPJ-UHFFFAOYSA-N
MDL Number	MFCD00005241
Molecular Formula	C4H5BrN2
Molecular Weight	160.9999
NSC Number	50563
SMILES	Brc1c(C)n[nH]c1
UNII	2TM9BD74QF
Synonyms	4-Bromo-3-methylpyrazole, 13808-64-5, 4-Bromo-3-methyl-1H-pyrazole, 4-bromo-5-methyl-1H-pyrazole, 3-Methyl-4-bromopyrazole, 1H-Pyrazole, 4-bromo-3-methyl-, 4-BROMO-3-METHYL PYRAZOLE, 1076223-98-7, UNII-2TM9BD74QF, 2TM9BD74QF, 4-bromo-3-methyl-2H-pyrazole, 3-Methyl-4-bromo-1H-pyrazole, 4-Bromo-3-methylpyrazole, 97%, IXQPRETWBGVNPJ-UHFFFAOYSA-N, MFCD00005241, F9995-0436, NSC50563, EINECS 237-456-7, PubChem22533, timtec-bb sbb003957, ACMC-1BUV4, 4-bromo-3-methyl-pyrazole, AC1Q26GR, AC1Q2Q5A, SCHEMBL98270, KSC493S5J, AC1L362L, 4-bromo-3-methylpyrazole 97%, 4-bromo-3-methylpyrazole,97%, Jsp002287, CTK3J3954, CTK5I8841, DTXSID30160464, 4-Bromo-3-methyl-1H-pyrazole #, ACT01762, ALBB-006927, CS-D1704, EBD28695, ZINC5424919, ANW-20372, BBL013133, CM-801, NSC-50563, SBB003957, STK400098, AKOS000264787, AKOS000813939, AKOS025395021, 4-Bromo-3-methyl-1H-pyrazole, 97%, AC-4816, FS-2571, MCULE-1749367684, RTR-005041, TRA0084962, VP20102, AJ-54029, AJ-54030, AK-24746, AN-11568, BP-10256, BR-24746, CJ-12605, R338, SC-22572, SY010801, AB0018113, DB-042410, ST2411202, TR-005041, TR-059368, A2976, AM20080282, B3522, FT-0617823, ST45119113, J3.547.899J, KS-00000860, VU0549374-1, B-2233, B39375, MFCD00005241 (97+%), I14-1526, W-108230, InChI=1/C4H5BrN2/c1-3-4(5)2-6-7-3/h2H,1H3,(H,6,7, C4H5BrN2, C4-H5-Br-N2, CID83741, AR-1G1229, CB10025, T1796, 4-Bromo-3-methyl-1H-pyrazole, 97% - 1G 1g, 13945-01-2,

Complexity	66.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	159.964g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	161.002g/mol
Monoisotopic Mass	159.964g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	28.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number