AG00IAFS

587-90-6 | Urea, N,N'-bis(4-nitrophenyl)-

AG00IAFS

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CAS Number	587-90-6
Catalog Number	AG00IAFS(AGN-PC-0JK93D)
Chemical Name	Urea, N,N'-bis(4-nitrophenyl)-
EC Number	209-607-7
IUPAC Name	1,3-bis(4-nitrophenyl)urea
InChI	InChI=1S/C13H10N4O5/c18-13(14-9-1-5-11(6-2-9)16(19)20)15-10-3-7-12(8-4-10)17(21)22/h1-8H,(H2,14,15,18)
InChI Key	JEZZOKXIXNSKQD-UHFFFAOYSA-N
MDL Number	MFCD00024602
Molecular Formula	C13H10N4O5
Molecular Weight	302.2423
NSC Number	101086
SMILES	O=C(NC1=CC=C([N+]([O-])=O)C=C1)NC2=CC=C([N+]([O-])=O)C=C2
UNII	9IDD210E75
Synonyms	4,4'-dinitrocarbanilide, 4,4-DNC, N,N'-bis(4-nitrophenyl)urea, 1,3-Bis(4-nitrophenyl)urea, 587-90-6, 4,4'-Dinitrocarbanilide, Urea, N,N'-bis(4-nitrophenyl)-, 4,4'-Dinitrodiphenylurea, N,N'-Di(p-nitrophenyl)urea, N,N'-Bis(p-nitrophenyl)urea, UNII-9IDD210E75, N,N'-Bis(4-nitrophenyl)urea, Urea, 1,3-bis(p-nitrophenyl)-, NSC 101086, JEZZOKXIXNSKQD-UHFFFAOYSA-N, 9IDD210E75, MFCD00024602, NCGC00166218-01, DSSTox_CID_23761, DSSTox_RID_80070, DSSTox_GSID_43761, CAS-587-90-6, EINECS 209-607-7, AI3-28268, AC1Q5MFI, Carbanilide,4'-dinitro-, Nicarbazin Related Compound, AC1L1T7D, 4',4''-Dinitrocarbanilide, Urea,3-bis(p-nitrophenyl)-, Carbanilide, 4,4'-dinitro-, 1,3-Di-(4-nitrophenyl)urea, Urea,N'-bis(4-nitrophenyl)-, SCHEMBL1177730, N,N'-bis(4-nitrophenyl)-urea, CHEMBL1079395, DTXSID0043761, N,N'-Bis-(4-nitrophenyl)urea, CTK8B8524, ZINC3843105, ZX-AT029314, Tox21_112354, 8731AB, ANW-60562, NSC101086, 1,3-Bis(4-nitrophenyl)urea, 97%, AKOS001586613, Carbanilide, 4,4'-dinitro- (8CI), Tox21_112354_1, MCULE-4145465447, NSC-101086, KS-000018Y2, NCGC00166218-02, AJ-45817, AX8053823, DB-053266, LS-187743, TC-149307, FT-0629422, ST45021890, SR-01000944768, N-(4-nitrophenyl)[(4-nitrophenyl)amino]carboxamide, SR-01000944768-1, I14-46708, 1,3-bis urea, 4,4/'-Dinitrocarbanilide, C13H10N4O5, CID9509, AR-1F7954, C13-H10-N4-O5, DNC, 604-84-2,

Complexity	379
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	302.065g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	302.246g/mol
Monoisotopic Mass	302.065g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	133A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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