AG00FFE2

70951-85-8 | 4-bromo-1-tert-butyl-1H-pyrazole

AG00FFE2

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CAS Number	70951-85-8
Catalog Number	AG00FFE2(AGN-PC-09PZDP)
Chemical Name	4-bromo-1-tert-butyl-1H-pyrazole
IUPAC Name	4-bromo-1-tert-butylpyrazole
InChI	InChI=1S/C7H11BrN2/c1-7(2,3)10-5-6(8)4-9-10/h4-5H,1-3H3
InChI Key	KLLXOOSSATXFFY-UHFFFAOYSA-N
MDL Number	MFCD13195703
Molecular Formula	C7H11BrN2
Molecular Weight	203.0796
SMILES	CC(C)(C)N1C=C(Br)C=N1
Synonyms	70951-85-8, 4-bromo-1-tert-butyl-1H-pyrazole, 4-Bromo-1-(tert-butyl)-1H-pyrazole, 4-BROMO-1-T-BUTYLPYRAZOLE, ACMC-209ogs, SCHEMBL673370, 4-bromo-1-tert-butyl-pyrazole, 4-bromo-1-t-butyl-1H-pyrazole, CTK5D3227, DTXSID00682027, KLLXOOSSATXFFY-UHFFFAOYSA-N, ACN-P000728, ANW-35978, ZINC40456634, AKOS015835001, AB70462, QC-2483, AK-98179, AS-18042, DA-16822, SY104667, AB0078793, AJ-103263, TR-037563, AM20100670, CS-0042929, FT-0767144, V7420, 4-bromo-1-(1,1-dimethylethyl)-1H-pyrazole, MFCD13195703 (95%), B-4744, I14-14065, C7H11BrN2, ACN-025350,

Complexity	119
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.011g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	203.083g/mol
Monoisotopic Mass	202.011g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number