AG0005VL

1019009-68-7 | ethyl 5-amino-1-(2-bromophenyl)-1H-pyrazole-4-carboxylate

AG0005VL

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CAS Number	1019009-68-7
Catalog Number	AG0005VL(AGN-PC-06OFER)
Chemical Name	ethyl 5-amino-1-(2-bromophenyl)-1H-pyrazole-4-carboxylate
IUPAC Name	ethyl 5-amino-1-(2-bromophenyl)pyrazole-4-carboxylate
InChI	InChI=1S/C12H12BrN3O2/c1-2-18-12(17)8-7-15-16(11(8)14)10-6-4-3-5-9(10)13/h3-7H,2,14H2,1H3
InChI Key	VHRXOCZHFUSLBV-UHFFFAOYSA-N
MDL Number	MFCD06637280
Molecular Formula	C12H12BrN3O2
Molecular Weight	310.1466
SMILES	O=C(C1=C(N)N(C2=CC=CC=C2Br)N=C1)OCC
Synonyms	ethyl 5-amino-1-(2-bromophenyl)-1H-pyrazole-4-carboxylate, 1019009-68-7, 5-AMINO-1-(2-BROMOPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, DTXSID30656155, MFCD06637280, ZINC35778928, AKOS005848233, IMED431640209, ACN-000073, DS-6680, AJ-92103, AK139381, AN-25999, AX8221359, DB-058722, CS-0061568, FT-0708156, I14-11605, ethyl 5-amino-1-(2-bromophenyl)pyrazole-4-carboxylate, 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(2-bromophenyl)-, ethyl ester, A16298,

Complexity	303
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	309.011g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	310.151g/mol
Monoisotopic Mass	309.011g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	70.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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