AG00DBQX

4498-74-2 | 3-(PHENYLMETHYL)-1H-INDAZOLE

AG00DBQX

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CAS Number	4498-74-2
Catalog Number	AG00DBQX(AGN-PC-0OAHP7)
Chemical Name	3-(PHENYLMETHYL)-1H-INDAZOLE
IUPAC Name	3-benzyl-2H-indazole
InChI	InChI=1S/C14H12N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13(12)15-16-14/h1-9H,10H2,(H,15,16)
InChI Key	XSFVAQRSZSENGO-UHFFFAOYSA-N
MDL Number	MFCD01565718
Molecular Formula	C14H12N2
Molecular Weight	208.2585
SMILES	C(C1=NNC2=CC=CC=C12)C1=CC=CC=C1
Synonyms	3-Benzyl-1H-indazole, 4498-74-2, 3-benzyl-2H-indazole, 3-(phenylmethyl)-1h-indazole, benzylindazole, Benzyl-indazole, PubChem11852, AC1MJM8G, Oprea1_063944, SCHEMBL248215, 1H-Indazole,3-(phenylmethyl)-, CHEMBL3965465, CTK4I8573, DTXSID50389716, XSFVAQRSZSENGO-UHFFFAOYSA-N, HMS1687L21, KS-00000IJ2, ZINC4993051, 6212AB, MFCD01565718, AKOS015917965, ACM4498742, DS-5031, AJ-52867, AK111049, BAS 02226615, AX8170756, DB-070617, EU-0073526, FT-0604099, 498B742, SR-01000451357, I14-8629, SR-01000451357-1, C14H12N2, ZINC04993051, CID3139604, A7115,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.1g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	208.264g/mol
Monoisotopic Mass	208.1g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	28.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number