AG003MCC

51516-67-7 | 5-AMINO-1-(4-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE

AG003MCC

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CAS Number	51516-67-7
Catalog Number	AG003MCC(AGN-PC-0JU6MI)
Chemical Name	5-AMINO-1-(4-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
IUPAC Name	5-amino-1-(4-chlorophenyl)pyrazole-4-carbonitrile
InChI	InChI=1S/C10H7ClN4/c11-8-1-3-9(4-2-8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2
InChI Key	WIWSALMJHPGFDY-UHFFFAOYSA-N
MDL Number	MFCD13195764
Molecular Formula	C10H7ClN4
Molecular Weight	218.6424
SMILES	N#CC1=C(N)N(C2=CC=C(Cl)C=C2)N=C1
Synonyms	5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile, 51516-67-7, 5-amino-1-(4-chlorophenyl)pyrazole-4-carbonitrile, CHEMBL460460, MFCD00052031, AK139441, AC1LCXRH, Maybridge1_001852, ACMC-1B1LD, SCHEMBL1143771, CTK3J7099, HMS546M04, ZINC93021, 1H-pyrazole-4-carbonitrile, 5-amino-1-(4-chlorophenyl)-, DTXSID00348616, HMS3604K21, ALBB-031077, KS-00000F0L, ZX-AT011619, BDBM50242762, SBB028434, STL444078, AKOS000260327, ACN-000199, DB07291, DS-6686, MCULE-6824406288, QC-4502, RP05090, SDCCGMLS-0065863.P001, ACM51516677, AJ-10903, AN-41232, SC-56362, AX8102018, RT-003522, FT-0619953, Y9289, C-1084, 5-Amino-1-(4-chlorophenyl)-4-cyano-1H-pyrazole, J-516639, 5-Amino-1-(4-chloro-phenyl)-1H-pyrazole-4-carbonit, I14-14011, 1-(4-Chlorophenyl)-5-amino-1H-pyrazole-4-carbonitrile, 5-Amino-1-(4''-chlorophenyl)-1H-pyrazole-4-carbonitrile, 5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile, 97%, InChI=1/C10H7ClN4/c11-8-1-3-9(4-2-8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H, C10H7ClN4, CID639097, ZINC00093021, A7591, 5-AMINO-1- -1H-PYRAZOLE-4-CARBONITRILE, 5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile, 97% - 1G 1g,

Complexity	266
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.036g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	218.644g/mol
Monoisotopic Mass	218.036g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	67.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3439

Certificate of Analysis

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