AG00IKFU

619-24-9 | Benzonitrile, 3-nitro-

AG00IKFU

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CAS Number	619-24-9
Catalog Number	AG00IKFU(AGN-PC-04UI1T)
Chemical Name	Benzonitrile, 3-nitro-
EC Number	210-587-7
IUPAC Name	3-nitrobenzonitrile
InChI	InChI=1S/C7H4N2O2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H
InChI Key	RUSAWEHOGCWOPG-UHFFFAOYSA-N
MDL Number	MFCD00007194
Molecular Formula	C7H4N2O2
Molecular Weight	148.1189
NSC Number	5382
RTECS Number	DI4900000
SMILES	N#Cc1cccc(c1)[N+](=O)[O-]
Synonyms	3-cyanonitrobenzene, 3-nitrobenzonitrile, m-cyanonitrobenzene, m-nitrobenzonitrile, 3-Nitrobenzonitrile, 619-24-9, Benzonitrile, 3-nitro-, M-NITROBENZONITRILE, 3-Cyanonitrobenzene, m-Cyanonitrobenzene, Benzonitrile, m-nitro-, 3-cyano-1-nitrobenzene, 3-Nitro-benzonitrile, CCRIS 2327, NSC 5382, 3-nitrobenzenecarbonitrile, EINECS 210-587-7, MFCD00007194, 3-Nitrobenzonitrile, 98%, AI3-16310, RUSAWEHOGCWOPG-UHFFFAOYSA-N, 12402-46-9, 3-nitrobenzonitril, m-Nitrocyanobenzene, 3-cyanonitrobenzene-, PubChem18857, AC1L1YSR, WLN: WNR CCN, ACMC-1BVV9, AC1Q1X6Q, META-CYANONITROBENZENE, SCHEMBL57152, CHEMBL57012, BEN689, DTXSID5060697, CTK3J2746, TIMTEC-BB SBB028663, NSC5382, AKOS B004093, ART-CHEM-BB B004093, LABOTEST-BB LTBB005391, ZINC164477, KS-00000W4Y, NSC-5382, ANW-33996, SBB028663, STK260893, AKOS000304441, AN-6860, AS02578, FR-0574, MCULE-6655892706, NE10474, PS-4576, RL04345, RP00905, RP23198, RTR-021296, VZ27155, UPCMLD0ENAT5345030:001, AC-10299, CJ-02144, LS-38762, SC-25593, ZB008158, DB-054024, TL8003982, TR-021296, CS-0059137, FT-0616243, N0170, ST45164351, EN300-18272, 19N249, A833486, AC-907/25014352, I01-2589, W-105077, InChI=1/C7H4N2O2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4, C7H4N2O2, C7-H4-N2-O2, CID12079, 3-Nitrobenzonitrile, 99% - 25G 25g, 10026-04-7,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	148.027g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	148.121g/mol
Monoisotopic Mass	148.027g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	69.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302+H312+H332
Precuationary statements	P280
Siginal words

Certificate of Analysis

Lot Number