AG0002QC

100727-07-9 | Benzaldehyde, 4-(phenylamino)-

AG0002QC

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CAS Number	100727-07-9
Catalog Number	AG0002QC(AGN-PC-0KFTPQ)
Chemical Name	Benzaldehyde, 4-(phenylamino)-
IUPAC Name	4-anilinobenzaldehyde
InChI	InChI=1S/C13H11NO/c15-10-11-6-8-13(9-7-11)14-12-4-2-1-3-5-12/h1-10,14H
InChI Key	XXWHZIJHYNPASE-UHFFFAOYSA-N
MDL Number	MFCD03950803
Molecular Formula	C13H11NO
Molecular Weight	197.2325
SMILES	O=CC1=CC=C(NC2=CC=CC=C2)C=C1
Synonyms	4-(Phenylamino)benzaldehyde, 100727-07-9, Benzaldehyde, 4-(phenylamino)-, 4-anilinobenzaldehyde, 4-phenylaminobenzaldehyde, W-204387, MFCD03950803, ACMC-20m3ss, 4-phenylamino-benzaldehyde, AC1M6E5M, SCHEMBL510414, CTK0G8669, DTXSID40368479, XXWHZIJHYNPASE-UHFFFAOYSA-N, KS-00001B6C, ZINC3281053, AKOS006243100, MCULE-8879533443, RP04115, AS-40932, DA-16429, CS-0046852, FT-0747640, Y6777, C13H11NO, ZINC03281053, CID2396509, 4-(phenylamino)benzaldehyde, 95% - 1G 1g,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	197.084g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	197.237g/mol
Monoisotopic Mass	197.084g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P261-P280-P305+P351+P338-P304+P340-P405
UN Code

Certificate of Analysis

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