AG0016XD

1222-98-6 | 2-Propen-1-one, 3-(4-nitrophenyl)-1-phenyl-

AG0016XD

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CAS Number	1222-98-6
Catalog Number	AG0016XD(AGN-PC-0JKBVE)
Chemical Name	2-Propen-1-one, 3-(4-nitrophenyl)-1-phenyl-
EC Number	214-949-5
IUPAC Name	(E)-3-(4-nitrophenyl)-1-phenylprop-2-en-1-one
InChI	InChI=1S/C15H11NO3/c17-15(13-4-2-1-3-5-13)11-8-12-6-9-14(10-7-12)16(18)19/h1-11H/b11-8+
InChI Key	WDZGGAFMGIOIQS-DHZHZOJOSA-N
MDL Number	MFCD00007382
Molecular Formula	C15H11NO3
Molecular Weight	253.2527
NSC Number	636936
SMILES	O=C(C1=CC=CC=C1)/C=C/C2=CC=C([N+]([O-])=O)C=C2
UNII	YT67D88ODY
Synonyms	4-Nitrochalcone, 1222-98-6, p-Nitrostyryl phenyl ketone, CHALCONE, 4-NITRO-, p-Nitrobenzylideneacetophenone, trans-4-Nitrochalcone, 4-Nitrocalone [Italian], UNII-YT67D88ODY, 3-(4-Nitrophenyl)-1-phenyl-2-propen-1-one, p-Nitrobenzylidene acetophenone, 2-Propen-1-one, 3-(4-nitrophenyl)-1-phenyl-, BRN 0400543, CCRIS 1669, Chalcone, 4-nitro-, (E)-, (E)-3-(4-nitrophenyl)-1-phenylprop-2-en-1-one, NSC 3383, EINECS 214-949-5, (E)-3-(4-Nitrophenyl)-1-phenyl-2-propen-1-one, BRN 2053524, YT67D88ODY, (2E)-3-(4-nitrophenyl)-1-phenylprop-2-en-1-one, NSC636936, 2960-55-6, (E)-3-(4-nitrophenyl)-1-phenyl-prop-2-en-1-one, 4-Nitrocalone, 2-(4-Nitrobenzylidene)acetophenone, (E)-4-Nitrochalcone, phenylpropenone, 3-21, 4-Nitrochalcone, 99%, AC1NTAW4, DSSTox_CID_29067, DSSTox_RID_83286, DSSTox_GSID_49211, 2-07-00-00429 (Beilstein Handbook Reference), 4-07-00-01666 (Beilstein Handbook Reference), SCHEMBL521696, CHEMBL106771, SCHEMBL3012785, 2-Propen-1-one, 3-(4-nitrophenyl)-1-phenyl-, (E)-, DTXSID7049211, BDBM33383, WDZGGAFMGIOIQS-DHZHZOJOSA-, WDZGGAFMGIOIQS-DHZHZOJOSA-N, ZINC3861205, Tox21_202976, ITH000337, MFCD00007382, SBB062090, STL024432, AKOS016038187, MS-8921, NSC-636936, NCGC00260522-01, NCGC00326179-01, LS-52920, LS-52921, CAS-1222-98-6, TR-003578, ST50411943, (E)-3-(4-Nitro-phenyl)-1-phenyl-propenone, AB01320595-02, A804866, AE-641/00576040, J-004785, I14-50830, 2-Propen-1-one, 3-(4-nitrophenyl)-1-phenyl-, (E)- (9CI), InChI=1/C15H11NO3/c17-15(13-4-2-1-3-5-13)11-8-12-6-9-14(10-7-12)16(18)19/h1-11H/b11-8+, Chalcone deriv, C15-H11-N-O3, 3-(4-nitrophenyl)-1-phenylprop-2-en-1-one, CID5377323,

Complexity	345
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	253.074g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	253.257g/mol
Monoisotopic Mass	253.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	62.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number