AG005DBI

72054-56-9 | 4-(2-Bromoethyl)benzonitrile

AG005DBI

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CAS Number	72054-56-9
Catalog Number	AG005DBI(AGN-PC-00JXWC)
Chemical Name	4-(2-Bromoethyl)benzonitrile
IUPAC Name	4-(2-bromoethyl)benzonitrile
InChI	InChI=1S/C9H8BrN/c10-6-5-8-1-3-9(7-11)4-2-8/h1-4H,5-6H2
InChI Key	NNNRGWOWXNCGCV-UHFFFAOYSA-N
MDL Number	MFCD12025077
Molecular Formula	C9H8BrN
Molecular Weight	210.0705
SMILES	BrCCC1=CC=C(C=C1)C#N
Synonyms	4-(2-BROMOETHYL)BENZONITRILE, 72054-56-9, Benzonitrile, 4-(2-bromoethyl)-, AK-36209, 4-Cyanophenethyl bromide, SCHEMBL508063, CTK2H2997, KS-00000HNV, DTXSID80512333, NNNRGWOWXNCGCV-UHFFFAOYSA-N, ANW-70641, MFCD12025077, ZINC39331186, AKOS014197341, AM83182, CS-W018706, FCH4897803, MP-1398, OR45144, RP26545, AC-28574, AJ-99888, BBV-39236749, CJ-19933, DS-12869, SC-83233, AB0052118, AX8159836, TC-159386, 4CH-008476, ST24028736, Z5069, EN300-298023, J-513281, C9H8BrN, ACN-048870,

Complexity	150
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.984g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	210.074g/mol
Monoisotopic Mass	208.984g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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